N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine

C12H17NO — CID 89012748

IUPACN-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
SMILESC=C(C)N[C@H](COC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(2)13-12(9-14-3)11-7-5-4-6-8-11/h4-8,12-13H,1,9H2,2-3H3/t12-/m1/s1
InChIKeyKFLFFFXZAVPJQZ-GFCCVEGCSA-N
MW191.27 g/mol
LogP2.50
Rot. Bonds5

About N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine

N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine (PubChem CID 89012748) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
PubChem CID89012748
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
SMILESC=C(C)N[C@H](COC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(2)13-12(9-14-3)11-7-5-4-6-8-11/h4-8,12-13H,1,9H2,2-3H3/t12-/m1/s1
InChIKeyKFLFFFXZAVPJQZ-GFCCVEGCSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal
CID 169128641
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methoxy-1-phenylethyl)urea
CID 111618774
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111505801
1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111338426
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea
CID 111455158
2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol
CID 103464543
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine?
The IUPAC name of N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine (CID 89012748) is N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine?
The canonical SMILES for N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine is C=C(C)N[C@H](COC)c1ccccc1.
What is the InChIKey of N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine?
The InChIKey is KFLFFFXZAVPJQZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)13-12(9-14-3)11-7-5-4-6-8-11/h4-8,12-13H,1,9H2,2-3H3/t12-/m1/s1.
What are the key properties of N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine?
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine is sourced from PubChem (CID 89012748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).