4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline

C18H24N2 — CID 78996712

IUPAC4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
SMILESCCCCN(c1ccccc1)c1ccc([C@H](C)N)cc1
InChIInChI=1S/C18H24N2/c1-3-4-14-20(17-8-6-5-7-9-17)18-12-10-16(11-13-18)15(2)19/h5-13,15H,3-4,14,19H2,1-2H3/t15-/m0/s1
InChIKeyVESHUAASOPQQNH-HNNXBMFYSA-N
MW268.40 g/mol
LogP4.64
Rot. Bonds6

About 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline

4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline (PubChem CID 78996712) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
PubChem CID78996712
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
SMILESCCCCN(c1ccccc1)c1ccc([C@H](C)N)cc1
InChIInChI=1S/C18H24N2/c1-3-4-14-20(17-8-6-5-7-9-17)18-12-10-16(11-13-18)15(2)19/h5-13,15H,3-4,14,19H2,1-2H3/t15-/m0/s1
InChIKeyVESHUAASOPQQNH-HNNXBMFYSA-N
XLogP4.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline
CID 64585981
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
4-(1-aminoethyl)-N-butan-2-yl-N-butylaniline
CID 55005473
N,N-diethylpentan-1-amine;1-phenylethanamine
CID 175350280
butane;N-octyl-N-phenylaniline
CID 175431375
6-[(1R)-1-aminopropyl]-N-butyl-N-phenylpyridin-3-amine
CID 103937433
4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
CID 67184223
1-N-butyl-4-methyl-1-N-phenylbenzene-1,3-diamine
CID 64584977
1-N,4-N-dibutyl-4-N-phenylbenzene-1,4-diamine
CID 57159052
4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
CID 77047547
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline (CID 78996712) is 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline is CCCCN(c1ccccc1)c1ccc([C@H](C)N)cc1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline?
The InChIKey is VESHUAASOPQQNH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-4-14-20(17-8-6-5-7-9-17)18-12-10-16(11-13-18)15(2)19/h5-13,15H,3-4,14,19H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline?
4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline is sourced from PubChem (CID 78996712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).