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

C17H28N2O — CID 61471809

IUPAC4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC(C)CN1CCCC1
InChIInChI=1S/C17H28N2O/c1-14(5-6-16-7-9-17(20)10-8-16)18-15(2)13-19-11-3-4-12-19/h7-10,14-15,18,20H,3-6,11-13H2,1-2H3
InChIKeyDDCIVIZDBNHKCP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.79
Rot. Bonds7

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

4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol (PubChem CID 61471809) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol
PubChem CID61471809
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC(C)CN1CCCC1
InChIInChI=1S/C17H28N2O/c1-14(5-6-16-7-9-17(20)10-8-16)18-15(2)13-19-11-3-4-12-19/h7-10,14-15,18,20H,3-6,11-13H2,1-2H3
InChIKeyDDCIVIZDBNHKCP-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717
4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol
CID 65073310
N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472079
4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol
CID 7445985
4-[3-[[2-hydroxy-1-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 67719171
4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
CID 61212712
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pentan-2-amine
CID 61471885
N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide
CID 60849315
4-[3-(pyrrol-1-ylamino)butyl]phenol
CID 79090689

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol?
The IUPAC name of 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol (CID 61471809) is 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol?
The canonical SMILES for 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol is CC(CCc1ccc(O)cc1)NC(C)CN1CCCC1.
What is the InChIKey of 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol?
The InChIKey is DDCIVIZDBNHKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(5-6-16-7-9-17(20)10-8-16)18-15(2)13-19-11-3-4-12-19/h7-10,14-15,18,20H,3-6,11-13H2,1-2H3.
What are the key properties of 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol?
4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol is sourced from PubChem (CID 61471809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).