N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline

C18H24N2 — CID 105346501

IUPACN-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
SMILESCNCC(C)c1ccc(CN(C)c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-15(13-19-2)17-11-9-16(10-12-17)14-20(3)18-7-5-4-6-8-18/h4-12,15,19H,13-14H2,1-3H3
InChIKeyQORJTQYEBHLLHA-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.65
Rot. Bonds6

About N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline

N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline (PubChem CID 105346501) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
PubChem CID105346501
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
SMILESCNCC(C)c1ccc(CN(C)c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-15(13-19-2)17-11-9-16(10-12-17)14-20(3)18-7-5-4-6-8-18/h4-12,15,19H,13-14H2,1-3H3
InChIKeyQORJTQYEBHLLHA-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346970
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
N-benzyl-N-methyl-3-propan-2-ylaniline;1,4-di(propan-2-yl)benzene
CID 178169461
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
N-benzyl-N-methyl-3-propan-2-ylaniline
CID 178169457
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
CID 105347351
N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 105347323
aniline;N-benzyl-N-methylaniline
CID 163577424

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline?
The IUPAC name of N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline (CID 105346501) is N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline is CNCC(C)c1ccc(CN(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline?
The InChIKey is QORJTQYEBHLLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(13-19-2)17-11-9-16(10-12-17)14-20(3)18-7-5-4-6-8-18/h4-12,15,19H,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline?
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline is sourced from PubChem (CID 105346501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).