N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline

C11H15ClN2 — CID 84781400

IUPACN-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline
SMILESCN(CC1(N)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2/c1-14(8-11(13)6-7-11)10-4-2-9(12)3-5-10/h2-5H,6-8,13H2,1H3
InChIKeyQBDLDQKTUJJPQR-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.27
Rot. Bonds3

About N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline

N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline (PubChem CID 84781400) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline
PubChem CID84781400
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline
SMILESCN(CC1(N)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2/c1-14(8-11(13)6-7-11)10-4-2-9(12)3-5-10/h2-5H,6-8,13H2,1H3
InChIKeyQBDLDQKTUJJPQR-UHFFFAOYSA-N
XLogP2.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline (CID 84781400) is N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline is CN(CC1(N)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline?
The InChIKey is QBDLDQKTUJJPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14(8-11(13)6-7-11)10-4-2-9(12)3-5-10/h2-5H,6-8,13H2,1H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline?
N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline has a molecular weight of 210.71 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline is sourced from PubChem (CID 84781400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).