(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine

C13H19NO — CID 130367202

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
SMILESC=CC[C@H](C)NCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-4-5-11(2)14-10-12-6-8-13(15-3)9-7-12/h4,6-9,11,14H,1,5,10H2,2-3H3/t11-/m0/s1
InChIKeyNQDHAZTZJBRAQG-NSHDSACASA-N
MW205.30 g/mol
LogP2.75
Rot. Bonds6

About (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine

(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine (PubChem CID 130367202) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
PubChem CID130367202
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
SMILESC=CC[C@H](C)NCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-4-5-11(2)14-10-12-6-8-13(15-3)9-7-12/h4,6-9,11,14H,1,5,10H2,2-3H3/t11-/m0/s1
InChIKeyNQDHAZTZJBRAQG-NSHDSACASA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.75
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

methyl 4-[(pent-4-en-2-ylamino)methyl]benzoate
CID 115907298
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine
CID 115633215
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine
CID 115633047
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
CID 135000197
(2S)-2-[(4-methoxyphenyl)methylamino]propanal
CID 151027433
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
N-[(4-bromo-3-methylphenyl)methyl]pent-4-en-2-amine
CID 115668235
2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine
CID 10730152
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine (CID 130367202) is (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine is C=CC[C@H](C)NCc1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine?
The InChIKey is NQDHAZTZJBRAQG-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO/c1-4-5-11(2)14-10-12-6-8-13(15-3)9-7-12/h4,6-9,11,14H,1,5,10H2,2-3H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine?
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine is sourced from PubChem (CID 130367202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).