4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline

C14H21ClN2 — CID 78935924

IUPAC4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
SMILESCCCN(c1ccc([C@H](C)N)cc1Cl)C1CC1
InChIInChI=1S/C14H21ClN2/c1-3-8-17(12-5-6-12)14-7-4-11(10(2)16)9-13(14)15/h4,7,9-10,12H,3,5-6,8,16H2,1-2H3/t10-/m0/s1
InChIKeyQTWOLTIHSDPHKA-JTQLQIEISA-N
MW252.79 g/mol
LogP3.74
Rot. Bonds5

About 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline

4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline (PubChem CID 78935924) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
PubChem CID78935924
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
SMILESCCCN(c1ccc([C@H](C)N)cc1Cl)C1CC1
InChIInChI=1S/C14H21ClN2/c1-3-8-17(12-5-6-12)14-7-4-11(10(2)16)9-13(14)15/h4,7,9-10,12H,3,5-6,8,16H2,1-2H3/t10-/m0/s1
InChIKeyQTWOLTIHSDPHKA-JTQLQIEISA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol
CID 62909882
4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
CID 55190463
4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline
CID 63368575
(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78940497
4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
CID 63368751
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
CID 63532066
4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
CID 63368308
3-chloro-4-[cyclopropyl(propyl)amino]benzoic acid
CID 55179695
4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 62912720

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline (CID 78935924) is 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline is CCCN(c1ccc([C@H](C)N)cc1Cl)C1CC1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline?
The InChIKey is QTWOLTIHSDPHKA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-8-17(12-5-6-12)14-7-4-11(10(2)16)9-13(14)15/h4,7,9-10,12H,3,5-6,8,16H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline?
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline has a molecular weight of 252.79 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline is sourced from PubChem (CID 78935924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).