2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine

C17H26N2 — CID 105348064

IUPAC2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
SMILESC#CCN(C)Cc1ccc(C(C)CNC(C)C)cc1
InChIInChI=1S/C17H26N2/c1-6-11-19(5)13-16-7-9-17(10-8-16)15(4)12-18-14(2)3/h1,7-10,14-15,18H,11-13H2,2-5H3
InChIKeyGJLPWWWDDXSRTL-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.85
Rot. Bonds7

About 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine

2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine (PubChem CID 105348064) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
PubChem CID105348064
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
SMILESC#CCN(C)Cc1ccc(C(C)CNC(C)C)cc1
InChIInChI=1S/C17H26N2/c1-6-11-19(5)13-16-7-9-17(10-8-16)15(4)12-18-14(2)3/h1,7-10,14-15,18H,11-13H2,2-5H3
InChIKeyGJLPWWWDDXSRTL-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.85
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

N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine
CID 105346938
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 105349131
N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
CID 105349506
2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105347782
N-benzyl-N-methylprop-2-yn-1-amine;2-methyl-3-phenylbutan-2-amine
CID 87216453
2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346970
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 105346933
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105347517
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine
CID 105347344
[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl] N-hydroxycarbamate
CID 46861935
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 105346501

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine (CID 105348064) is 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine is C#CCN(C)Cc1ccc(C(C)CNC(C)C)cc1.
What is the InChIKey of 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is GJLPWWWDDXSRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-11-19(5)13-16-7-9-17(10-8-16)15(4)12-18-14(2)3/h1,7-10,14-15,18H,11-13H2,2-5H3.
What are the key properties of 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine?
2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 105348064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).