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

C17H29NO — CID 62530358

IUPAC2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccccc1CC(CNCC(C)C)C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)11-18-12-16(14(3)4)10-15-8-6-7-9-17(15)19-5/h6-9,13-14,16,18H,10-12H2,1-5H3
InChIKeyVSJDDZHMHDTMMB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.76
Rot. Bonds8

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

2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62530358) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID62530358
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccccc1CC(CNCC(C)C)C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)11-18-12-16(14(3)4)10-15-8-6-7-9-17(15)19-5/h6-9,13-14,16,18H,10-12H2,1-5H3
InChIKeyVSJDDZHMHDTMMB-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498326
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
3-[(2-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 69226800
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
2-[(2-methoxyphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151448
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
[1-(2-methoxyphenyl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105289474

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 62530358) is 2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine is COc1ccccc1CC(CNCC(C)C)C(C)C.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is VSJDDZHMHDTMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)11-18-12-16(14(3)4)10-15-8-6-7-9-17(15)19-5/h6-9,13-14,16,18H,10-12H2,1-5H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62530358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).