(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine

C17H21NO — CID 78960186

IUPAC(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-3-17(18)15-9-11-16(12-10-15)19-13(2)14-7-5-4-6-8-14/h4-13,17H,3,18H2,1-2H3/t13?,17-/m0/s1
InChIKeyCHTJWXULELVPRW-RUINGEJQSA-N
MW255.36 g/mol
LogP4.24
Rot. Bonds5

About (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine

(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine (PubChem CID 78960186) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
PubChem CID78960186
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-3-17(18)15-9-11-16(12-10-15)19-13(2)14-7-5-4-6-8-14/h4-13,17H,3,18H2,1-2H3/t13?,17-/m0/s1
InChIKeyCHTJWXULELVPRW-RUINGEJQSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
4-(1-phenoxyethyl)aniline
CID 61262602
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
CID 107663944
(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
CID 102939494
(1S)-1-(4-benzylphenyl)propan-1-amine
CID 79018348

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine (CID 78960186) is (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccc(OC(C)c2ccccc2)cc1.
What is the InChIKey of (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine?
The InChIKey is CHTJWXULELVPRW-RUINGEJQSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-17(18)15-9-11-16(12-10-15)19-13(2)14-7-5-4-6-8-14/h4-13,17H,3,18H2,1-2H3/t13?,17-/m0/s1.
What are the key properties of (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine?
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 78960186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).