N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine

C19H21NO2 — CID 170552008

IUPACN,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C19H21NO2/c1-4-13-20(14-16-5-9-18(21-2)10-6-16)15-17-7-11-19(22-3)12-8-17/h1,5-12H,13-15H2,2-3H3
InChIKeyGROJUFGRPVFRMG-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.34
Rot. Bonds7

About N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine

N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine (PubChem CID 170552008) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine
PubChem CID170552008
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C19H21NO2/c1-4-13-20(14-16-5-9-18(21-2)10-6-16)15-17-7-11-19(22-3)12-8-17/h1,5-12H,13-15H2,2-3H3
InChIKeyGROJUFGRPVFRMG-UHFFFAOYSA-N
XLogP3.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 87520664
1-methoxy-4-prop-2-ynylbenzene
CID 10773115
N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine
CID 10446658
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
N-[(4-bromophenyl)methyl]-N-prop-2-ynylpropan-1-amine
CID 155545695
N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 24806524
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
2-(4-methoxyphenyl)ethyl-prop-2-ynylazanium
CID 8636354
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine (CID 170552008) is N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine is C#CCN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine?
The InChIKey is GROJUFGRPVFRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-13-20(14-16-5-9-18(21-2)10-6-16)15-17-7-11-19(22-3)12-8-17/h1,5-12H,13-15H2,2-3H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine?
N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine has a molecular weight of 295.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 170552008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).