N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline

C12H17ClN2 — CID 84789895

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline
SMILESCN(CC1(CN)CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-15(9-12(8-14)5-6-12)11-4-2-3-10(13)7-11/h2-4,7H,5-6,8-9,14H2,1H3
InChIKeyPEAIKGYHASOSMX-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.52
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline (PubChem CID 84789895) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline
PubChem CID84789895
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline
SMILESCN(CC1(CN)CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-15(9-12(8-14)5-6-12)11-4-2-3-10(13)7-11/h2-4,7H,5-6,8-9,14H2,1H3
InChIKeyPEAIKGYHASOSMX-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline
CID 115244039
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
CID 84778072
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 115243960
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylnaphthalen-2-amine
CID 115245752
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
CID 115243941
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxy-N-methylaniline
CID 115243951
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672
N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 63739983
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline (CID 84789895) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline is CN(CC1(CN)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline?
The InChIKey is PEAIKGYHASOSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-15(9-12(8-14)5-6-12)11-4-2-3-10(13)7-11/h2-4,7H,5-6,8-9,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline has a molecular weight of 224.74 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline is sourced from PubChem (CID 84789895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).