4-[2-(4-phenylbutan-2-ylamino)propyl]phenol

C19H25NO — CID 79692143

IUPAC4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
SMILESCC(CCc1ccccc1)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C19H25NO/c1-15(8-9-17-6-4-3-5-7-17)20-16(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,15-16,20-21H,8-9,14H2,1-2H3
InChIKeyDDTGZHZEHUUXHM-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.93
Rot. Bonds7

About 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol

4-[2-(4-phenylbutan-2-ylamino)propyl]phenol (PubChem CID 79692143) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
PubChem CID79692143
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
SMILESCC(CCc1ccccc1)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C19H25NO/c1-15(8-9-17-6-4-3-5-7-17)20-16(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,15-16,20-21H,8-9,14H2,1-2H3
InChIKeyDDTGZHZEHUUXHM-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]propanamide
CID 18598850
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717
N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254
4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol
CID 61471809
4-[3-(1-pyridin-2-ylethylamino)butyl]phenol
CID 43202604
N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
CID 115639050
N-(4-phenylbutan-2-yl)pent-4-yn-2-amine
CID 115664215
4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
CID 81344807

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol?
The IUPAC name of 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol (CID 79692143) is 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol is CC(CCc1ccccc1)NC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol?
The InChIKey is DDTGZHZEHUUXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(8-9-17-6-4-3-5-7-17)20-16(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,15-16,20-21H,8-9,14H2,1-2H3.
What are the key properties of 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol?
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylbutan-2-ylamino)propyl]phenol is sourced from PubChem (CID 79692143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).