2-[[benzyl(cyclopropyl)amino]methyl]aniline

C17H20N2 — CID 43460969

IUPAC2-[[benzyl(cyclopropyl)amino]methyl]aniline
SMILESNc1ccccc1CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H20N2/c18-17-9-5-4-8-15(17)13-19(16-10-11-16)12-14-6-2-1-3-7-14/h1-9,16H,10-13,18H2
InChIKeyNVTQVWIGPRCMDH-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.43
Rot. Bonds5

About 2-[[benzyl(cyclopropyl)amino]methyl]aniline

2-[[benzyl(cyclopropyl)amino]methyl]aniline (PubChem CID 43460969) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[benzyl(cyclopropyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[benzyl(cyclopropyl)amino]methyl]aniline
PubChem CID43460969
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-[[benzyl(cyclopropyl)amino]methyl]aniline
SMILESNc1ccccc1CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H20N2/c18-17-9-5-4-8-15(17)13-19(16-10-11-16)12-14-6-2-1-3-7-14/h1-9,16H,10-13,18H2
InChIKeyNVTQVWIGPRCMDH-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
CID 107113137
2-[[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]methyl]aniline
CID 104798300
N,N-dibenzylcyclobutanamine
CID 70822586
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[(5-bromothiophen-2-yl)methyl-cyclopropylamino]methyl]aniline
CID 43461005
2-[[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]methyl]aniline
CID 112640948
2-[[(2-chloro-4-methylphenyl)methyl-cyclopropylamino]methyl]aniline
CID 106864211
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(cyclopropyl)amino]methyl]aniline?
The IUPAC name of 2-[[benzyl(cyclopropyl)amino]methyl]aniline (CID 43460969) is 2-[[benzyl(cyclopropyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[benzyl(cyclopropyl)amino]methyl]aniline?
The canonical SMILES for 2-[[benzyl(cyclopropyl)amino]methyl]aniline is Nc1ccccc1CN(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-[[benzyl(cyclopropyl)amino]methyl]aniline?
The InChIKey is NVTQVWIGPRCMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-17-9-5-4-8-15(17)13-19(16-10-11-16)12-14-6-2-1-3-7-14/h1-9,16H,10-13,18H2.
What are the key properties of 2-[[benzyl(cyclopropyl)amino]methyl]aniline?
2-[[benzyl(cyclopropyl)amino]methyl]aniline has a molecular weight of 252.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(cyclopropyl)amino]methyl]aniline is sourced from PubChem (CID 43460969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).