4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride

C17H23ClN2 — CID 24834584

IUPAC4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
SMILESCC(Cc1ccccc1)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C17H22N2.ClH/c1-14(13-16-5-3-2-4-6-16)19-12-11-15-7-9-17(18)10-8-15;/h2-10,14,19H,11-13,18H2,1H3;1H
InChIKeyGMZDGQNCNLCQSE-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.45
Rot. Bonds6

About 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride

4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride (PubChem CID 24834584) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride.

Molecular Properties

Compound Name4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
PubChem CID24834584
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
SMILESCC(Cc1ccccc1)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C17H22N2.ClH/c1-14(13-16-5-3-2-4-6-16)19-12-11-15-7-9-17(18)10-8-15;/h2-10,14,19H,11-13,18H2,1H3;1H
InChIKeyGMZDGQNCNLCQSE-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
4-[2-(hexan-2-ylamino)ethyl]aniline
CID 62199328
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
[2-(4-aminophenyl)ethylamino]-phenylmethanol
CID 132520187
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
3-(2-phenylethylamino)butanethioamide
CID 112508005

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride?
The IUPAC name of 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride (CID 24834584) is 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride.
What is the SMILES notation for 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride?
The canonical SMILES for 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride is CC(Cc1ccccc1)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride?
The InChIKey is GMZDGQNCNLCQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.ClH/c1-14(13-16-5-3-2-4-6-16)19-12-11-15-7-9-17(18)10-8-15;/h2-10,14,19H,11-13,18H2,1H3;1H.
What are the key properties of 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride?
4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride is sourced from PubChem (CID 24834584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).