N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine

C13H19NO — CID 81371407

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-10(2)9-14-11(3)12-5-7-13(15-4)8-6-12/h5-8,11,14H,1,9H2,2-4H3/t11-/m0/s1
InChIKeyKKBBKMZFQPIZFY-NSHDSACASA-N
MW205.30 g/mol
LogP2.92
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 81371407) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID81371407
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-10(2)9-14-11(3)12-5-7-13(15-4)8-6-12/h5-8,11,14H,1,9H2,2-4H3/t11-/m0/s1
InChIKeyKKBBKMZFQPIZFY-NSHDSACASA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
(E)-3-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437933
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 62331698
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81352556
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
(E)-4-[1-(4-methoxyphenyl)ethylamino]-3-methylbut-2-enoic acid
CID 103256077
N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
CID 114449211
N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide
CID 81364426
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine (CID 81371407) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CN[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is KKBBKMZFQPIZFY-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)9-14-11(3)12-5-7-13(15-4)8-6-12/h5-8,11,14H,1,9H2,2-4H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 81371407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).