3-[(4-propylphenyl)methylamino]propan-1-ol

C13H21NO — CID 94681283

IUPAC3-[(4-propylphenyl)methylamino]propan-1-ol
SMILESCCCc1ccc(CNCCCO)cc1
InChIInChI=1S/C13H21NO/c1-2-4-12-5-7-13(8-6-12)11-14-9-3-10-15/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyMITDFVCETRMAFV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds7

About 3-[(4-propylphenyl)methylamino]propan-1-ol

3-[(4-propylphenyl)methylamino]propan-1-ol (PubChem CID 94681283) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(4-propylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-propylphenyl)methylamino]propan-1-ol
PubChem CID94681283
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[(4-propylphenyl)methylamino]propan-1-ol
SMILESCCCc1ccc(CNCCCO)cc1
InChIInChI=1S/C13H21NO/c1-2-4-12-5-7-13(8-6-12)11-14-9-3-10-15/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyMITDFVCETRMAFV-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
2-[(4-propylphenyl)methylamino]ethanethiol
CID 115223914
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
4-methyl-1-N-[(4-propylphenyl)methyl]pentane-1,4-diamine
CID 115205314
4-(4-propylphenyl)butan-1-ol
CID 10511962
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride
CID 47000639
6-(4-propylanilino)hexan-1-ol
CID 103868001
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
methanediol;4-[(4-undecylphenyl)methylamino]butanal
CID 142267639

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylphenyl)methylamino]propan-1-ol?
The IUPAC name of 3-[(4-propylphenyl)methylamino]propan-1-ol (CID 94681283) is 3-[(4-propylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-propylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(4-propylphenyl)methylamino]propan-1-ol is CCCc1ccc(CNCCCO)cc1.
What is the InChIKey of 3-[(4-propylphenyl)methylamino]propan-1-ol?
The InChIKey is MITDFVCETRMAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-4-12-5-7-13(8-6-12)11-14-9-3-10-15/h5-8,14-15H,2-4,9-11H2,1H3.
What are the key properties of 3-[(4-propylphenyl)methylamino]propan-1-ol?
3-[(4-propylphenyl)methylamino]propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 94681283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).