2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine

C19H33NO — CID 63521367

IUPAC2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(C)CC(CNCC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H33NO/c1-6-16(4)11-18(14-20-13-15(2)3)12-17-7-9-19(21-5)10-8-17/h7-10,15-16,18,20H,6,11-14H2,1-5H3
InChIKeyHGSZZYOAFPNMAV-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.54
Rot. Bonds10

About 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine

2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 63521367) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID63521367
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(C)CC(CNCC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H33NO/c1-6-16(4)11-18(14-20-13-15(2)3)12-17-7-9-19(21-5)10-8-17/h7-10,15-16,18,20H,6,11-14H2,1-5H3
InChIKeyHGSZZYOAFPNMAV-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516101
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
CID 63522612
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
2-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107897183
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 63498321
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
CID 62718541
1-(4-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61065170
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine (CID 63521367) is 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine is CCC(C)CC(CNCC(C)C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is HGSZZYOAFPNMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-16(4)11-18(14-20-13-15(2)3)12-17-7-9-19(21-5)10-8-17/h7-10,15-16,18,20H,6,11-14H2,1-5H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine?
2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 63521367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).