1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine

C17H29NO — CID 63420985

IUPAC1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
SMILESCCCCCCOc1c(C)cc(CC(C)N)cc1C
InChIInChI=1S/C17H29NO/c1-5-6-7-8-9-19-17-13(2)10-16(11-14(17)3)12-15(4)18/h10-11,15H,5-9,12,18H2,1-4H3
InChIKeyPSYDNPBZMMVDPK-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.15
Rot. Bonds8

About 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine

1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine (PubChem CID 63420985) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
PubChem CID63420985
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
SMILESCCCCCCOc1c(C)cc(CC(C)N)cc1C
InChIInChI=1S/C17H29NO/c1-5-6-7-8-9-19-17-13(2)10-16(11-14(17)3)12-15(4)18/h10-11,15H,5-9,12,18H2,1-4H3
InChIKeyPSYDNPBZMMVDPK-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
1-(5-bromo-2-heptoxy-3-methylphenyl)propan-2-amine
CID 115962769
1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64565529
(4-heptoxy-3,5-dimethylphenyl)methanol
CID 43129630
5-(bromomethyl)-1,3-dimethyl-2-nonoxybenzene
CID 63534828
5-(chloromethyl)-2-heptoxy-1,3-dimethylbenzene
CID 43129659
1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
CID 103181855
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
methyl 4-[4-(2-aminopropyl)-2,6-dimethylphenoxy]butanoate
CID 60908291
1-(3-bromo-5-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 60906355
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine (CID 63420985) is 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine is CCCCCCOc1c(C)cc(CC(C)N)cc1C.
What is the InChIKey of 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine?
The InChIKey is PSYDNPBZMMVDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-7-8-9-19-17-13(2)10-16(11-14(17)3)12-15(4)18/h10-11,15H,5-9,12,18H2,1-4H3.
What are the key properties of 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine?
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 63420985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).