1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol

C17H29NO2 — CID 82313612

IUPAC1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol
SMILESCOCCCNC(C)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-13(18-11-6-12-20-5)16(19)14-7-9-15(10-8-14)17(2,3)4/h7-10,13,16,18-19H,6,11-12H2,1-5H3
InChIKeyHNAYYZCCLNXHHA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.03
Rot. Bonds7

About 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol

1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol (PubChem CID 82313612) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol
PubChem CID82313612
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol
SMILESCOCCCNC(C)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-13(18-11-6-12-20-5)16(19)14-7-9-15(10-8-14)17(2,3)4/h7-10,13,16,18-19H,6,11-12H2,1-5H3
InChIKeyHNAYYZCCLNXHHA-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82312671
2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 82313866
1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82315777
2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316067
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82314733
N-[4-[1-hydroxy-2-(2-methoxyethylamino)propyl]phenyl]propanamide
CID 82315404
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82314177
N-(3-methoxypropyl)-3-methylbutan-2-amine
CID 43205074
2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313794
methyl 4-hydroxy-3-(3-methoxypropylamino)-4-(4-methylphenyl)butanoate
CID 82347489

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol (CID 82313612) is 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol is COCCCNC(C)C(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol?
The InChIKey is HNAYYZCCLNXHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(18-11-6-12-20-5)16(19)14-7-9-15(10-8-14)17(2,3)4/h7-10,13,16,18-19H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol?
1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol is sourced from PubChem (CID 82313612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).