N-[2-[4-(aminomethyl)phenyl]ethyl]aniline

C15H18N2 — CID 105484105

IUPACN-[2-[4-(aminomethyl)phenyl]ethyl]aniline
SMILESNCc1ccc(CCNc2ccccc2)cc1
InChIInChI=1S/C15H18N2/c16-12-14-8-6-13(7-9-14)10-11-17-15-4-2-1-3-5-15/h1-9,17H,10-12,16H2
InChIKeyWUQIYCGIZAQJPK-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.80
Rot. Bonds5

About N-[2-[4-(aminomethyl)phenyl]ethyl]aniline

N-[2-[4-(aminomethyl)phenyl]ethyl]aniline (PubChem CID 105484105) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)phenyl]ethyl]aniline
PubChem CID105484105
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[2-[4-(aminomethyl)phenyl]ethyl]aniline
SMILESNCc1ccc(CCNc2ccccc2)cc1
InChIInChI=1S/C15H18N2/c16-12-14-8-6-13(7-9-14)10-11-17-15-4-2-1-3-5-15/h1-9,17H,10-12,16H2
InChIKeyWUQIYCGIZAQJPK-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(2-phenylethyl)aniline
CID 91194556
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
CID 66675261
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
3-(2-phenylethylamino)phenol
CID 28722392
2-phenylethanamine;N-propylaniline
CID 174836088
N-[3-(4-fluorophenyl)propyl]aniline
CID 91405958
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080
ethane;N'-phenylethane-1,2-diamine
CID 91048519
phenylmethanamine
CID 19864074
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)phenyl]ethyl]aniline?
The IUPAC name of N-[2-[4-(aminomethyl)phenyl]ethyl]aniline (CID 105484105) is N-[2-[4-(aminomethyl)phenyl]ethyl]aniline.
What is the SMILES notation for N-[2-[4-(aminomethyl)phenyl]ethyl]aniline?
The canonical SMILES for N-[2-[4-(aminomethyl)phenyl]ethyl]aniline is NCc1ccc(CCNc2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(aminomethyl)phenyl]ethyl]aniline?
The InChIKey is WUQIYCGIZAQJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c16-12-14-8-6-13(7-9-14)10-11-17-15-4-2-1-3-5-15/h1-9,17H,10-12,16H2.
What are the key properties of N-[2-[4-(aminomethyl)phenyl]ethyl]aniline?
N-[2-[4-(aminomethyl)phenyl]ethyl]aniline has a molecular weight of 226.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 105484105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).