1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol

C17H29NO3 — CID 60635119

IUPAC1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCCCCCC(C)NCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C17H29NO3/c1-4-5-6-7-14(2)18-12-15(19)13-21-17-10-8-16(20-3)9-11-17/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3
InChIKeyYYSVITLPRYNEGX-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.99
Rot. Bonds11

About 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol

1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 60635119) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID60635119
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCCCCCC(C)NCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C17H29NO3/c1-4-5-6-7-14(2)18-12-15(19)13-21-17-10-8-16(20-3)9-11-17/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3
InChIKeyYYSVITLPRYNEGX-UHFFFAOYSA-N
XLogP2.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 62200405
1-(4-chlorophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635716
1-(4-bromophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635405
1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
1-(heptan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 60635442
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112
1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199289
4-[2-hydroxy-3-(pentan-2-ylamino)propoxy]benzonitrile
CID 60634605
(2S)-2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250156

Frequently Asked Questions

What is the IUPAC name of 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol (CID 60635119) is 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol is CCCCCC(C)NCC(O)COc1ccc(OC)cc1.
What is the InChIKey of 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is YYSVITLPRYNEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-5-6-7-14(2)18-12-15(19)13-21-17-10-8-16(20-3)9-11-17/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3.
What are the key properties of 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol?
1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 60635119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).