(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine

C25H37NO2 — CID 7714620

IUPAC(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
SMILESCOc1ccc(CNCC[C@@H](CCC(C)C)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C25H37NO2/c1-19(2)6-9-23(22-10-14-25(15-11-22)28-20(3)4)16-17-26-18-21-7-12-24(27-5)13-8-21/h7-8,10-15,19-20,23,26H,6,9,16-18H2,1-5H3/t23-/m1/s1
InChIKeyYCVVIDRKQVJJKD-HSZRJFAPSA-N
MW383.58 g/mol
LogP6.18
Rot. Bonds12

About (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine

(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine (PubChem CID 7714620) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
PubChem CID7714620
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
SMILESCOc1ccc(CNCC[C@@H](CCC(C)C)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C25H37NO2/c1-19(2)6-9-23(22-10-14-25(15-11-22)28-20(3)4)16-17-26-18-21-7-12-24(27-5)13-8-21/h7-8,10-15,19-20,23,26H,6,9,16-18H2,1-5H3/t23-/m1/s1
InChIKeyYCVVIDRKQVJJKD-HSZRJFAPSA-N
XLogP6.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine
CID 3958867
(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 2048004
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7707299
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5032799
(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7714603
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 115639283
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
N'-(2,5-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807445

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
The IUPAC name of (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine (CID 7714620) is (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine.
What is the SMILES notation for (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
The canonical SMILES for (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine is COc1ccc(CNCC[C@@H](CCC(C)C)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
The InChIKey is YCVVIDRKQVJJKD-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H37NO2/c1-19(2)6-9-23(22-10-14-25(15-11-22)28-20(3)4)16-17-26-18-21-7-12-24(27-5)13-8-21/h7-8,10-15,19-20,23,26H,6,9,16-18H2,1-5H3/t23-/m1/s1.
What are the key properties of (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine has a molecular weight of 383.58 g/mol, XLogP of 6.18, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine is sourced from PubChem (CID 7714620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).