4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline

C15H23ClN2 — CID 62912720

IUPAC4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
SMILESCC(N)c1ccc(N(CC2CC2)C(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-10(2)18(9-12-4-5-12)15-7-6-13(11(3)17)8-14(15)16/h6-8,10-12H,4-5,9,17H2,1-3H3
InChIKeyCZXOGCIVPQFDQZ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.98
Rot. Bonds5

About 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline

4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline (PubChem CID 62912720) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
PubChem CID62912720
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
SMILESCC(N)c1ccc(N(CC2CC2)C(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-10(2)18(9-12-4-5-12)15-7-6-13(11(3)17)8-14(15)16/h6-8,10-12H,4-5,9,17H2,1-3H3
InChIKeyCZXOGCIVPQFDQZ-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63532385
4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
CID 55190463
2-chloro-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]-N-propan-2-ylaniline
CID 81144148
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 78948262
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935650
N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine
CID 55130920
(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
CID 64519994
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 55190487
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 78954482

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline?
The IUPAC name of 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline (CID 62912720) is 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline is CC(N)c1ccc(N(CC2CC2)C(C)C)c(Cl)c1.
What is the InChIKey of 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline?
The InChIKey is CZXOGCIVPQFDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-10(2)18(9-12-4-5-12)15-7-6-13(11(3)17)8-14(15)16/h6-8,10-12H,4-5,9,17H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline?
4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline has a molecular weight of 266.82 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 62912720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).