(2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine

C21H29NO2 — CID 59084840

IUPAC(2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine
SMILESCOc1ccccc1CN[C@H](COCc1ccccc1)CC(C)C
InChIInChI=1S/C21H29NO2/c1-17(2)13-20(16-24-15-18-9-5-4-6-10-18)22-14-19-11-7-8-12-21(19)23-3/h4-12,17,20,22H,13-16H2,1-3H3/t20-/m0/s1
InChIKeyMORZEWDVCBOAOQ-FQEVSTJZSA-N
MW327.47 g/mol
LogP4.42
Rot. Bonds10

About (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine

(2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine (PubChem CID 59084840) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine
PubChem CID59084840
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name(2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine
SMILESCOc1ccccc1CN[C@H](COCc1ccccc1)CC(C)C
InChIInChI=1S/C21H29NO2/c1-17(2)13-20(16-24-15-18-9-5-4-6-10-18)22-14-19-11-7-8-12-21(19)23-3/h4-12,17,20,22H,13-16H2,1-3H3/t20-/m0/s1
InChIKeyMORZEWDVCBOAOQ-FQEVSTJZSA-N
XLogP4.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine
CID 168776237
(2S)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenylmethoxypentan-2-amine
CID 59085012
1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine
CID 65025474
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine?
The IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine (CID 59084840) is (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine.
What is the SMILES notation for (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine?
The canonical SMILES for (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine is COc1ccccc1CN[C@H](COCc1ccccc1)CC(C)C.
What is the InChIKey of (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine?
The InChIKey is MORZEWDVCBOAOQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29NO2/c1-17(2)13-20(16-24-15-18-9-5-4-6-10-18)22-14-19-11-7-8-12-21(19)23-3/h4-12,17,20,22H,13-16H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine?
(2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine has a molecular weight of 327.47 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine is sourced from PubChem (CID 59084840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).