4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline

C14H23ClN2 — CID 55190463

IUPAC4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc([C@@H](C)N)cc1Cl)C(C)C
InChIInChI=1S/C14H23ClN2/c1-5-8-17(10(2)3)14-7-6-12(11(4)16)9-13(14)15/h6-7,9-11H,5,8,16H2,1-4H3/t11-/m1/s1
InChIKeyPXYZJVVUKTXIEG-LLVKDONJSA-N
MW254.81 g/mol
LogP3.98
Rot. Bonds5

About 4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline

4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline (PubChem CID 55190463) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
PubChem CID55190463
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc([C@@H](C)N)cc1Cl)C(C)C
InChIInChI=1S/C14H23ClN2/c1-5-8-17(10(2)3)14-7-6-12(11(4)16)9-13(14)15/h6-7,9-11H,5,8,16H2,1-4H3/t11-/m1/s1
InChIKeyPXYZJVVUKTXIEG-LLVKDONJSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline
CID 63533725
4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
CID 63532066
4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 62912720
4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
CID 63368308
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935650
3-chloro-4-[propan-2-yl(propyl)amino]benzonitrile
CID 63087879
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
2-chloro-4-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 81149224
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
4-[(1S)-1-aminoethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 55188895
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline (CID 55190463) is 4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline is CCCN(c1ccc([C@@H](C)N)cc1Cl)C(C)C.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline?
The InChIKey is PXYZJVVUKTXIEG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-5-8-17(10(2)3)14-7-6-12(11(4)16)9-13(14)15/h6-7,9-11H,5,8,16H2,1-4H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline?
4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline has a molecular weight of 254.81 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-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline is sourced from PubChem (CID 55190463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).