4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol

C16H26N2O — CID 106604712

IUPAC4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESCCCCN(Cc1ccc(O)cc1)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-2-3-11-18(13-15-5-4-10-17-15)12-14-6-8-16(19)9-7-14/h6-9,15,17,19H,2-5,10-13H2,1H3
InChIKeyHKOKXNQWTMLEBN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds7

About 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol

4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (PubChem CID 106604712) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
PubChem CID106604712
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESCCCCN(Cc1ccc(O)cc1)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-2-3-11-18(13-15-5-4-10-17-15)12-14-6-8-16(19)9-7-14/h6-9,15,17,19H,2-5,10-13H2,1H3
InChIKeyHKOKXNQWTMLEBN-UHFFFAOYSA-N
XLogP2.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604779
N-[[4-(2-methylpropyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603955
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106616666
N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616617
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 112755518
N-[(2-bromo-3-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616825
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
N-[(4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606243

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (CID 106604712) is 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is CCCCN(Cc1ccc(O)cc1)CC1CCCN1.
What is the InChIKey of 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The InChIKey is HKOKXNQWTMLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-11-18(13-15-5-4-10-17-15)12-14-6-8-16(19)9-7-14/h6-9,15,17,19H,2-5,10-13H2,1H3.
What are the key properties of 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 106604712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).