4-[1-(3-phenylbutylamino)propyl]phenol

C19H25NO — CID 62988194

IUPAC4-[1-(3-phenylbutylamino)propyl]phenol
SMILESCCC(NCCC(C)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C19H25NO/c1-3-19(17-9-11-18(21)12-10-17)20-14-13-15(2)16-7-5-4-6-8-16/h4-12,15,19-21H,3,13-14H2,1-2H3
InChIKeyUQKFLLBWKRLEML-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.63
Rot. Bonds7

About 4-[1-(3-phenylbutylamino)propyl]phenol

4-[1-(3-phenylbutylamino)propyl]phenol (PubChem CID 62988194) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[1-(3-phenylbutylamino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(3-phenylbutylamino)propyl]phenol
PubChem CID62988194
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[1-(3-phenylbutylamino)propyl]phenol
SMILESCCC(NCCC(C)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C19H25NO/c1-3-19(17-9-11-18(21)12-10-17)20-14-13-15(2)16-7-5-4-6-8-16/h4-12,15,19-21H,3,13-14H2,1-2H3
InChIKeyUQKFLLBWKRLEML-UHFFFAOYSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212
4-(1-phenylpropylamino)phenol
CID 43742837
2-[1-(4-hydroxyphenyl)propylamino]ethylurea
CID 83110517
2-(3-phenylbutylamino)butanamide
CID 55153879
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
4-[1-[(2-ethylphenyl)methylamino]propyl]phenol
CID 64680918
(4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one
CID 66767129
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
4-[1-[2-(trifluoromethylsulfanyl)ethylamino]propyl]phenol
CID 106427128
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-phenylbutylamino)propyl]phenol?
The IUPAC name of 4-[1-(3-phenylbutylamino)propyl]phenol (CID 62988194) is 4-[1-(3-phenylbutylamino)propyl]phenol.
What is the SMILES notation for 4-[1-(3-phenylbutylamino)propyl]phenol?
The canonical SMILES for 4-[1-(3-phenylbutylamino)propyl]phenol is CCC(NCCC(C)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(3-phenylbutylamino)propyl]phenol?
The InChIKey is UQKFLLBWKRLEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-19(17-9-11-18(21)12-10-17)20-14-13-15(2)16-7-5-4-6-8-16/h4-12,15,19-21H,3,13-14H2,1-2H3.
What are the key properties of 4-[1-(3-phenylbutylamino)propyl]phenol?
4-[1-(3-phenylbutylamino)propyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-phenylbutylamino)propyl]phenol is sourced from PubChem (CID 62988194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).