N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline

C18H24N2 — CID 43280656

IUPACN-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccccc1N(C)Cc1ccccc1
InChIInChI=1S/C18H24N2/c1-15(2)19-13-17-11-7-8-12-18(17)20(3)14-16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3
InChIKeySVHMNFKIDIGUGC-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.82
Rot. Bonds6

About N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline

N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 43280656) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID43280656
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccccc1N(C)Cc1ccccc1
InChIInChI=1S/C18H24N2/c1-15(2)19-13-17-11-7-8-12-18(17)20(3)14-16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3
InChIKeySVHMNFKIDIGUGC-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 63025572
cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid
CID 71147510
1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol
CID 54994011
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966869
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073225

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline (CID 43280656) is N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1ccccc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is SVHMNFKIDIGUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(2)19-13-17-11-7-8-12-18(17)20(3)14-16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 43280656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).