2-[(4-propoxyphenyl)methylamino]propan-1-ol

C13H21NO2 — CID 43499524

IUPAC2-[(4-propoxyphenyl)methylamino]propan-1-ol
SMILESCCCOc1ccc(CNC(C)CO)cc1
InChIInChI=1S/C13H21NO2/c1-3-8-16-13-6-4-12(5-7-13)9-14-11(2)10-15/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeySFKXGPPDLNXGQP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds7

About 2-[(4-propoxyphenyl)methylamino]propan-1-ol

2-[(4-propoxyphenyl)methylamino]propan-1-ol (PubChem CID 43499524) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(4-propoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-propoxyphenyl)methylamino]propan-1-ol
PubChem CID43499524
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(4-propoxyphenyl)methylamino]propan-1-ol
SMILESCCCOc1ccc(CNC(C)CO)cc1
InChIInChI=1S/C13H21NO2/c1-3-8-16-13-6-4-12(5-7-13)9-14-11(2)10-15/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeySFKXGPPDLNXGQP-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
2-[(4-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312708
4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 62733175
2-[4-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 43776316
2-[(4-prop-2-ynoxyphenyl)methylamino]propan-1-ol
CID 115656403
4-ethylsulfanyl-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 115660473
(2R)-2-N-[(4-butoxyphenyl)methyl]propane-1,2-diamine
CID 113498432
N,N-dimethyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 43573853
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(4-propoxyphenyl)methylamino]propan-1-ol (CID 43499524) is 2-[(4-propoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(4-propoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(4-propoxyphenyl)methylamino]propan-1-ol is CCCOc1ccc(CNC(C)CO)cc1.
What is the InChIKey of 2-[(4-propoxyphenyl)methylamino]propan-1-ol?
The InChIKey is SFKXGPPDLNXGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-8-16-13-6-4-12(5-7-13)9-14-11(2)10-15/h4-7,11,14-15H,3,8-10H2,1-2H3.
What are the key properties of 2-[(4-propoxyphenyl)methylamino]propan-1-ol?
2-[(4-propoxyphenyl)methylamino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 43499524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).