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

C25H37NO — CID 7714603

IUPAC(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine
SMILESCC(C)CC[C@H](CCN[C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C25H37NO/c1-19(2)11-12-24(23-13-15-25(16-14-23)27-20(3)4)17-18-26-21(5)22-9-7-6-8-10-22/h6-10,13-16,19-21,24,26H,11-12,17-18H2,1-5H3/t21-,24+/m0/s1
InChIKeyHDPQPBVKYYFUBB-XUZZJYLKSA-N
MW367.58 g/mol
LogP6.73
Rot. Bonds11

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

(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine (PubChem CID 7714603) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is (3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine
PubChem CID7714603
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC Name(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine
SMILESCC(C)CC[C@H](CCN[C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C25H37NO/c1-19(2)11-12-24(23-13-15-25(16-14-23)27-20(3)4)17-18-26-21(5)22-9-7-6-8-10-22/h6-10,13-16,19-21,24,26H,11-12,17-18H2,1-5H3/t21-,24+/m0/s1
InChIKeyHDPQPBVKYYFUBB-XUZZJYLKSA-N
XLogP6.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 2048004
3-phenyl-N-(1-phenylethyl)hexan-1-amine
CID 139750954
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 2965324
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7714620
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
6-methyl-3-(4-propan-2-yloxyphenyl)heptanoic acid
CID 3360093
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7707299

Frequently Asked Questions

What is the IUPAC name of (3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
The IUPAC name of (3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine (CID 7714603) is (3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine.
What is the SMILES notation for (3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
The canonical SMILES for (3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine is CC(C)CC[C@H](CCN[C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of (3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
The InChIKey is HDPQPBVKYYFUBB-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H37NO/c1-19(2)11-12-24(23-13-15-25(16-14-23)27-20(3)4)17-18-26-21(5)22-9-7-6-8-10-22/h6-10,13-16,19-21,24,26H,11-12,17-18H2,1-5H3/t21-,24+/m0/s1.
What are the key properties of (3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine?
(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine has a molecular weight of 367.58 g/mol, XLogP of 6.73, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine is sourced from PubChem (CID 7714603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).