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

C16H20N2 — CID 15175680

IUPACN-phenyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccccc1Nc1ccccc1
InChIInChI=1S/C16H20N2/c1-13(2)17-12-14-8-6-7-11-16(14)18-15-9-4-3-5-10-15/h3-11,13,17-18H,12H2,1-2H3
InChIKeyVFIHGQHEWKIIOH-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.93
Rot. Bonds5

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

N-phenyl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 15175680) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-phenyl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-phenyl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID15175680
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-phenyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccccc1Nc1ccccc1
InChIInChI=1S/C16H20N2/c1-13(2)17-12-14-8-6-7-11-16(14)18-15-9-4-3-5-10-15/h3-11,13,17-18H,12H2,1-2H3
InChIKeyVFIHGQHEWKIIOH-UHFFFAOYSA-N
XLogP3.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylsulfanylmethyl)-N-phenylaniline
CID 15727799
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-phenyl-2-(piperidin-1-ylmethyl)aniline
CID 162401807
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
CID 63809900
2-pentyl-N-phenylaniline
CID 20516677
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
2-[(4-methylphenyl)methyl]-N-phenylaniline
CID 11708854
tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 59237466
N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine
CID 14978242
2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline
CID 71416566
N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]propan-2-amine
CID 153302381

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-phenyl-2-[(propan-2-ylamino)methyl]aniline (CID 15175680) is N-phenyl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-phenyl-2-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1ccccc1Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is VFIHGQHEWKIIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(2)17-12-14-8-6-7-11-16(14)18-15-9-4-3-5-10-15/h3-11,13,17-18H,12H2,1-2H3.
What are the key properties of N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
N-phenyl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 15175680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).