(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine

C18H19NO — CID 28609857

IUPAC(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccccc1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C18H19NO/c1-3-13-20-18-12-8-7-11-17(18)14-19-15(2)16-9-5-4-6-10-16/h1,4-12,15,19H,13-14H2,2H3/t15-/m0/s1
InChIKeyGMRULPMKBRYYPB-HNNXBMFYSA-N
MW265.36 g/mol
LogP3.55
Rot. Bonds6

About (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine

(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine (PubChem CID 28609857) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
PubChem CID28609857
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccccc1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C18H19NO/c1-3-13-20-18-12-8-7-11-17(18)14-19-15(2)16-9-5-4-6-10-16/h1,4-12,15,19H,13-14H2,2H3/t15-/m0/s1
InChIKeyGMRULPMKBRYYPB-HNNXBMFYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648846
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 43078385
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
1-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 113472717
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570
2-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81347276

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine (CID 28609857) is (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine is C#CCOc1ccccc1CN[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The InChIKey is GMRULPMKBRYYPB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-13-20-18-12-8-7-11-17(18)14-19-15(2)16-9-5-4-6-10-16/h1,4-12,15,19H,13-14H2,2H3/t15-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 28609857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).