3-[cyclopropyl-(N-methylanilino)methyl]aniline

C17H20N2 — CID 82024532

IUPAC3-[cyclopropyl-(N-methylanilino)methyl]aniline
SMILESCN(c1ccccc1)C(c1cccc(N)c1)C1CC1
InChIInChI=1S/C17H20N2/c1-19(16-8-3-2-4-9-16)17(13-10-11-13)14-6-5-7-15(18)12-14/h2-9,12-13,17H,10-11,18H2,1H3
InChIKeyRBTKCKYNNWQCSQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.86
Rot. Bonds4

About 3-[cyclopropyl-(N-methylanilino)methyl]aniline

3-[cyclopropyl-(N-methylanilino)methyl]aniline (PubChem CID 82024532) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[cyclopropyl-(N-methylanilino)methyl]aniline.

Molecular Properties

Compound Name3-[cyclopropyl-(N-methylanilino)methyl]aniline
PubChem CID82024532
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-[cyclopropyl-(N-methylanilino)methyl]aniline
SMILESCN(c1ccccc1)C(c1cccc(N)c1)C1CC1
InChIInChI=1S/C17H20N2/c1-19(16-8-3-2-4-9-16)17(13-10-11-13)14-6-5-7-15(18)12-14/h2-9,12-13,17H,10-11,18H2,1H3
InChIKeyRBTKCKYNNWQCSQ-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.86
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-(1-cyclopropylethyl)-N-methylaniline
CID 134851823
3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
CID 43613770
3-(1-cyclopropyl-2,2-difluoroethyl)aniline
CID 115020982
3-(1-cyclobutylethyl)aniline
CID 115014570
(3-aminophenyl)-cyclobutylmethanol
CID 105437114
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
4-[1-(3-aminophenyl)ethyl-methylamino]benzonitrile
CID 60869632
3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
CID 61262198
2-(3-aminophenyl)-2-cyclobutylacetic acid
CID 166080335
4-[1-(N-methylanilino)ethyl]aniline
CID 82024536
3-[bis[4-(dimethylamino)phenyl]methyl]aniline;ethane
CID 142155282
1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166588

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(N-methylanilino)methyl]aniline?
The IUPAC name of 3-[cyclopropyl-(N-methylanilino)methyl]aniline (CID 82024532) is 3-[cyclopropyl-(N-methylanilino)methyl]aniline.
What is the SMILES notation for 3-[cyclopropyl-(N-methylanilino)methyl]aniline?
The canonical SMILES for 3-[cyclopropyl-(N-methylanilino)methyl]aniline is CN(c1ccccc1)C(c1cccc(N)c1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(N-methylanilino)methyl]aniline?
The InChIKey is RBTKCKYNNWQCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-19(16-8-3-2-4-9-16)17(13-10-11-13)14-6-5-7-15(18)12-14/h2-9,12-13,17H,10-11,18H2,1H3.
What are the key properties of 3-[cyclopropyl-(N-methylanilino)methyl]aniline?
3-[cyclopropyl-(N-methylanilino)methyl]aniline has a molecular weight of 252.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(N-methylanilino)methyl]aniline is sourced from PubChem (CID 82024532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).