4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline

C17H22N2 — CID 66675261

IUPAC4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
SMILESC[C@@H](N)Cc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C17H22N2/c1-14(18)13-16-7-9-17(10-8-16)19-12-11-15-5-3-2-4-6-15/h2-10,14,19H,11-13,18H2,1H3/t14-/m1/s1
InChIKeyACWOBQODEDWNBT-CQSZACIVSA-N
MW254.38 g/mol
LogP3.23
Rot. Bonds6

About 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline

4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline (PubChem CID 66675261) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
PubChem CID66675261
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
SMILESC[C@@H](N)Cc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C17H22N2/c1-14(18)13-16-7-9-17(10-8-16)19-12-11-15-5-3-2-4-6-15/h2-10,14,19H,11-13,18H2,1H3/t14-/m1/s1
InChIKeyACWOBQODEDWNBT-CQSZACIVSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
ethane;N-(2-phenylethyl)aniline
CID 91194556
azane;1-phenylpropan-2-amine
CID 67350534
N-[2-[4-(aminomethyl)phenyl]ethyl]aniline
CID 105484105
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
[4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate
CID 175114702
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline?
The IUPAC name of 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline (CID 66675261) is 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline.
What is the SMILES notation for 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline?
The canonical SMILES for 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline is C[C@@H](N)Cc1ccc(NCCc2ccccc2)cc1.
What is the InChIKey of 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline?
The InChIKey is ACWOBQODEDWNBT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2/c1-14(18)13-16-7-9-17(10-8-16)19-12-11-15-5-3-2-4-6-15/h2-10,14,19H,11-13,18H2,1H3/t14-/m1/s1.
What are the key properties of 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline?
4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline has a molecular weight of 254.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline is sourced from PubChem (CID 66675261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).