4-[amino(cyclopropyl)methyl]-3-chloroaniline

C10H13ClN2 — CID 55268901

IUPAC4-[amino(cyclopropyl)methyl]-3-chloroaniline
SMILESNc1ccc(C(N)C2CC2)c(Cl)c1
InChIInChI=1S/C10H13ClN2/c11-9-5-7(12)3-4-8(9)10(13)6-1-2-6/h3-6,10H,1-2,12-13H2
InChIKeyAUJIQMGPNCEUIQ-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.33
Rot. Bonds2

About 4-[amino(cyclopropyl)methyl]-3-chloroaniline

4-[amino(cyclopropyl)methyl]-3-chloroaniline (PubChem CID 55268901) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-[amino(cyclopropyl)methyl]-3-chloroaniline.

Molecular Properties

Compound Name4-[amino(cyclopropyl)methyl]-3-chloroaniline
PubChem CID55268901
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name4-[amino(cyclopropyl)methyl]-3-chloroaniline
SMILESNc1ccc(C(N)C2CC2)c(Cl)c1
InChIInChI=1S/C10H13ClN2/c11-9-5-7(12)3-4-8(9)10(13)6-1-2-6/h3-6,10H,1-2,12-13H2
InChIKeyAUJIQMGPNCEUIQ-UHFFFAOYSA-N
XLogP2.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
2-[amino(cyclopropyl)methyl]-5-chloroaniline
CID 55270347
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
4-[(S)-amino(cyclopropyl)methyl]-2,3-dichloroaniline
CID 130729519
(S)-(2-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241068
4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212641

Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclopropyl)methyl]-3-chloroaniline?
The IUPAC name of 4-[amino(cyclopropyl)methyl]-3-chloroaniline (CID 55268901) is 4-[amino(cyclopropyl)methyl]-3-chloroaniline.
What is the SMILES notation for 4-[amino(cyclopropyl)methyl]-3-chloroaniline?
The canonical SMILES for 4-[amino(cyclopropyl)methyl]-3-chloroaniline is Nc1ccc(C(N)C2CC2)c(Cl)c1.
What is the InChIKey of 4-[amino(cyclopropyl)methyl]-3-chloroaniline?
The InChIKey is AUJIQMGPNCEUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-9-5-7(12)3-4-8(9)10(13)6-1-2-6/h3-6,10H,1-2,12-13H2.
What are the key properties of 4-[amino(cyclopropyl)methyl]-3-chloroaniline?
4-[amino(cyclopropyl)methyl]-3-chloroaniline has a molecular weight of 196.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclopropyl)methyl]-3-chloroaniline is sourced from PubChem (CID 55268901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).