(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine

C24H35NO — CID 2048004

IUPAC(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
SMILESCC(C)CC[C@H](CCNCc1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C24H35NO/c1-19(2)10-11-23(16-17-25-18-21-8-6-5-7-9-21)22-12-14-24(15-13-22)26-20(3)4/h5-9,12-15,19-20,23,25H,10-11,16-18H2,1-4H3/t23-/m1/s1
InChIKeyOTKKPECJIQHSHR-HSZRJFAPSA-N
MW353.55 g/mol
LogP6.17
Rot. Bonds11

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

(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine (PubChem CID 2048004) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
PubChem CID2048004
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
SMILESCC(C)CC[C@H](CCNCc1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C24H35NO/c1-19(2)10-11-23(16-17-25-18-21-8-6-5-7-9-21)22-12-14-24(15-13-22)26-20(3)4/h5-9,12-15,19-20,23,25H,10-11,16-18H2,1-4H3/t23-/m1/s1
InChIKeyOTKKPECJIQHSHR-HSZRJFAPSA-N
XLogP6.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7714620
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine
CID 3958867
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7707299
(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7714603
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5032799
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
6-methyl-3-(4-propan-2-yloxyphenyl)heptanoic acid
CID 3360093
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 94281330
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
The IUPAC name of (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine (CID 2048004) is (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine.
What is the SMILES notation for (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
The canonical SMILES for (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine is CC(C)CC[C@H](CCNCc1ccccc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
The InChIKey is OTKKPECJIQHSHR-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H35NO/c1-19(2)10-11-23(16-17-25-18-21-8-6-5-7-9-21)22-12-14-24(15-13-22)26-20(3)4/h5-9,12-15,19-20,23,25H,10-11,16-18H2,1-4H3/t23-/m1/s1.
What are the key properties of (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine has a molecular weight of 353.55 g/mol, XLogP of 6.17, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine is sourced from PubChem (CID 2048004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).