2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride

C14H23ClNO2- — CID 53351262

IUPAC2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
SMILESCCC(CO)NCc1ccccc1OC(C)C.[Cl-]
InChIInChI=1S/C14H23NO2.ClH/c1-4-13(10-16)15-9-12-7-5-6-8-14(12)17-11(2)3;/h5-8,11,13,15-16H,4,9-10H2,1-3H3;1H/p-1
InChIKeyFOWXYXBIPVVXIO-UHFFFAOYSA-M
MW272.80 g/mol
LogP-0.66
Rot. Bonds7

About 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride

2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride (PubChem CID 53351262) has the molecular formula C14H23ClNO2- and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride.

Molecular Properties

Compound Name2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
PubChem CID53351262
Molecular FormulaC14H23ClNO2-
Molecular Weight272.80 g/mol
Exact Mass272.14
IUPAC Name2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
SMILESCCC(CO)NCc1ccccc1OC(C)C.[Cl-]
InChIInChI=1S/C14H23NO2.ClH/c1-4-13(10-16)15-9-12-7-5-6-8-14(12)17-11(2)3;/h5-8,11,13,15-16H,4,9-10H2,1-3H3;1H/p-1
InChIKeyFOWXYXBIPVVXIO-UHFFFAOYSA-M
XLogP-0.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727318
2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
CID 61247131
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 103859618

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride?
The IUPAC name of 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride (CID 53351262) is 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride.
What is the SMILES notation for 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride?
The canonical SMILES for 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride is CCC(CO)NCc1ccccc1OC(C)C.[Cl-].
What is the InChIKey of 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride?
The InChIKey is FOWXYXBIPVVXIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23NO2.ClH/c1-4-13(10-16)15-9-12-7-5-6-8-14(12)17-11(2)3;/h5-8,11,13,15-16H,4,9-10H2,1-3H3;1H/p-1.
What are the key properties of 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride?
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride has a molecular weight of 272.80 g/mol, XLogP of -0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride is sourced from PubChem (CID 53351262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).