4-[2-(1-methoxypropan-2-ylamino)propyl]phenol

C13H21NO2 — CID 81344807

IUPAC4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
SMILESCOCC(C)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(14-11(2)9-16-3)8-12-4-6-13(15)7-5-12/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyQNWOFAHNVOZFNL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds6

About 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol

4-[2-(1-methoxypropan-2-ylamino)propyl]phenol (PubChem CID 81344807) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
PubChem CID81344807
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
SMILESCOCC(C)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(14-11(2)9-16-3)8-12-4-6-13(15)7-5-12/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyQNWOFAHNVOZFNL-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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CID 143413207
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(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
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4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol
CID 43191842
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197717
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
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CID 115494470

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol?
The IUPAC name of 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol (CID 81344807) is 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol is COCC(C)NC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol?
The InChIKey is QNWOFAHNVOZFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(14-11(2)9-16-3)8-12-4-6-13(15)7-5-12/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol?
4-[2-(1-methoxypropan-2-ylamino)propyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methoxypropan-2-ylamino)propyl]phenol is sourced from PubChem (CID 81344807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).