4-[3-(1-aminopropan-2-ylamino)butyl]phenol

C13H22N2O — CID 103388958

IUPAC4-[3-(1-aminopropan-2-ylamino)butyl]phenol
SMILESCC(CN)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C13H22N2O/c1-10(15-11(2)9-14)3-4-12-5-7-13(16)8-6-12/h5-8,10-11,15-16H,3-4,9,14H2,1-2H3
InChIKeyIQDALPRBSUWEKB-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.65
Rot. Bonds6

About 4-[3-(1-aminopropan-2-ylamino)butyl]phenol

4-[3-(1-aminopropan-2-ylamino)butyl]phenol (PubChem CID 103388958) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[3-(1-aminopropan-2-ylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(1-aminopropan-2-ylamino)butyl]phenol
PubChem CID103388958
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[3-(1-aminopropan-2-ylamino)butyl]phenol
SMILESCC(CN)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C13H22N2O/c1-10(15-11(2)9-14)3-4-12-5-7-13(16)8-6-12/h5-8,10-11,15-16H,3-4,9,14H2,1-2H3
InChIKeyIQDALPRBSUWEKB-UHFFFAOYSA-N
XLogP1.65
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717
4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol
CID 61471809
methyl (2S)-2-[4-(4-hydroxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43452164
4-[3-[[2-hydroxy-1-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 67719171
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol
CID 43685015
4-[3-(1-pyridin-2-ylethylamino)butyl]phenol
CID 43202604
2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol
CID 115724716
3-amino-4-[4-(4-hydroxyphenyl)butan-2-ylamino]-4-oxobutanoic acid
CID 64896095
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
CID 61212956

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminopropan-2-ylamino)butyl]phenol?
The IUPAC name of 4-[3-(1-aminopropan-2-ylamino)butyl]phenol (CID 103388958) is 4-[3-(1-aminopropan-2-ylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(1-aminopropan-2-ylamino)butyl]phenol?
The canonical SMILES for 4-[3-(1-aminopropan-2-ylamino)butyl]phenol is CC(CN)NC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(1-aminopropan-2-ylamino)butyl]phenol?
The InChIKey is IQDALPRBSUWEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(15-11(2)9-14)3-4-12-5-7-13(16)8-6-12/h5-8,10-11,15-16H,3-4,9,14H2,1-2H3.
What are the key properties of 4-[3-(1-aminopropan-2-ylamino)butyl]phenol?
4-[3-(1-aminopropan-2-ylamino)butyl]phenol has a molecular weight of 222.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminopropan-2-ylamino)butyl]phenol is sourced from PubChem (CID 103388958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).