2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine

C19H33NO — CID 63521216

IUPAC2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCOc1cccc(CC(CCC(C)C)CNCC(C)C)c1
InChIInChI=1S/C19H33NO/c1-15(2)9-10-18(14-20-13-16(3)4)11-17-7-6-8-19(12-17)21-5/h6-8,12,15-16,18,20H,9-11,13-14H2,1-5H3
InChIKeyKLVDSDFCMKRXIA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.54
Rot. Bonds10

About 2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine

2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 63521216) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID63521216
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCOc1cccc(CC(CCC(C)C)CNCC(C)C)c1
InChIInChI=1S/C19H33NO/c1-15(2)9-10-18(14-20-13-16(3)4)11-17-7-6-8-19(12-17)21-5/h6-8,12,15-16,18,20H,9-11,13-14H2,1-5H3
InChIKeyKLVDSDFCMKRXIA-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

5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 62514571
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63522996
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
CID 103984352
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
CID 62718541
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516101
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine (CID 63521216) is 2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine is COc1cccc(CC(CCC(C)C)CNCC(C)C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is KLVDSDFCMKRXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-15(2)9-10-18(14-20-13-16(3)4)11-17-7-6-8-19(12-17)21-5/h6-8,12,15-16,18,20H,9-11,13-14H2,1-5H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine?
2-[(3-methoxyphenyl)methyl]-5-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-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 63521216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).