N-benzyl-N-methyl-3-propan-2-ylaniline

C17H21N — CID 178169457

IUPACN-benzyl-N-methyl-3-propan-2-ylaniline
SMILESCC(C)c1cccc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C17H21N/c1-14(2)16-10-7-11-17(12-16)18(3)13-15-8-5-4-6-9-15/h4-12,14H,13H2,1-3H3
InChIKeyBHBWMPFLTGMANO-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.45
Rot. Bonds4

About N-benzyl-N-methyl-3-propan-2-ylaniline

N-benzyl-N-methyl-3-propan-2-ylaniline (PubChem CID 178169457) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-propan-2-ylaniline
PubChem CID178169457
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-benzyl-N-methyl-3-propan-2-ylaniline
SMILESCC(C)c1cccc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C17H21N/c1-14(2)16-10-7-11-17(12-16)18(3)13-15-8-5-4-6-9-15/h4-12,14H,13H2,1-3H3
InChIKeyBHBWMPFLTGMANO-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-methyl-3-propan-2-ylaniline;1,4-di(propan-2-yl)benzene
CID 178169461
aniline;N-benzyl-N-methylaniline
CID 163577424
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
N-benzyl-N-methyl-5-propan-2-ylpyrimidin-2-amine
CID 130210262
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
CID 105347351
N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline
CID 119930941
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 105346501
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
tert-butyl-[4-[(N-methyl-4-propan-2-ylanilino)methyl]phenyl]-diphenylphosphanium
CID 134575852

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-propan-2-ylaniline?
The IUPAC name of N-benzyl-N-methyl-3-propan-2-ylaniline (CID 178169457) is N-benzyl-N-methyl-3-propan-2-ylaniline.
What is the SMILES notation for N-benzyl-N-methyl-3-propan-2-ylaniline?
The canonical SMILES for N-benzyl-N-methyl-3-propan-2-ylaniline is CC(C)c1cccc(N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-propan-2-ylaniline?
The InChIKey is BHBWMPFLTGMANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14(2)16-10-7-11-17(12-16)18(3)13-15-8-5-4-6-9-15/h4-12,14H,13H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-3-propan-2-ylaniline?
N-benzyl-N-methyl-3-propan-2-ylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-propan-2-ylaniline is sourced from PubChem (CID 178169457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).