N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine

C17H17NO — CID 43235878

IUPACN-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
SMILESC#CCNC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H17NO/c1-3-13-18-17(14-7-5-4-6-8-14)15-9-11-16(19-2)12-10-15/h1,4-12,17-18H,13H2,2H3
InChIKeyDTKWGGUNLHUBMR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.01
Rot. Bonds5

About N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine

N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine (PubChem CID 43235878) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
PubChem CID43235878
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
SMILESC#CCNC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H17NO/c1-3-13-18-17(14-7-5-4-6-8-14)15-9-11-16(19-2)12-10-15/h1,4-12,17-18H,13H2,2H3
InChIKeyDTKWGGUNLHUBMR-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43403754
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 95619538
1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine
CID 115970933
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol
CID 110010974
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea
CID 2900428
3-[(3,3-diphenylpropylamino)-(4-methoxyphenyl)methyl]aniline
CID 18347065
6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine
CID 118579652
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
CID 8830778

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine (CID 43235878) is N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine is C#CCNC(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine?
The InChIKey is DTKWGGUNLHUBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-13-18-17(14-7-5-4-6-8-14)15-9-11-16(19-2)12-10-15/h1,4-12,17-18H,13H2,2H3.
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine?
N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine has a molecular weight of 251.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine is sourced from PubChem (CID 43235878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).