(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine

C14H21NO — CID 81371090

IUPAC(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NCC2CCC2)cc1
InChIInChI=1S/C14H21NO/c1-11(15-10-12-4-3-5-12)13-6-8-14(16-2)9-7-13/h6-9,11-12,15H,3-5,10H2,1-2H3/t11-/m0/s1
InChIKeyHZZFUZNDCZDJCS-NSHDSACASA-N
MW219.33 g/mol
LogP3.15
Rot. Bonds5

About (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine

(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 81371090) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID81371090
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NCC2CCC2)cc1
InChIInChI=1S/C14H21NO/c1-11(15-10-12-4-3-5-12)13-6-8-14(16-2)9-7-13/h6-9,11-12,15H,3-5,10H2,1-2H3/t11-/m0/s1
InChIKeyHZZFUZNDCZDJCS-NSHDSACASA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 113348515
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81371165
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine (CID 81371090) is (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@H](C)NCC2CCC2)cc1.
What is the InChIKey of (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is HZZFUZNDCZDJCS-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO/c1-11(15-10-12-4-3-5-12)13-6-8-14(16-2)9-7-13/h6-9,11-12,15H,3-5,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine?
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81371090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).