1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine

C17H33NO — CID 168900875

IUPAC1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine
SMILESCCCCNC(C)C.CCCc1cccc(OC)c1.[H][H]
InChIInChI=1S/C10H14O.C7H17N.H2/c1-3-5-9-6-4-7-10(8-9)11-2;1-4-5-6-8-7(2)3;/h4,6-8H,3,5H2,1-2H3;7-8H,4-6H2,1-3H3;1H
InChIKeyCWSXABKPABADTH-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.68
Rot. Bonds7

About 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine

1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine (PubChem CID 168900875) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine
PubChem CID168900875
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine
SMILESCCCCNC(C)C.CCCc1cccc(OC)c1.[H][H]
InChIInChI=1S/C10H14O.C7H17N.H2/c1-3-5-9-6-4-7-10(8-9)11-2;1-4-5-6-8-7(2)3;/h4,6-8H,3,5H2,1-2H3;7-8H,4-6H2,1-3H3;1H
InChIKeyCWSXABKPABADTH-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.68
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-methoxy-3-propylbenzene
CID 14270128
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
1-methoxy-3-nonadecylbenzene
CID 154507578
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 60871822
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
CID 110185121
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
6-N-butyl-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855106
N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 126843908
1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 107850250
3-(3-methoxyphenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 61385968
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine?
The IUPAC name of 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine (CID 168900875) is 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine?
The canonical SMILES for 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine is CCCCNC(C)C.CCCc1cccc(OC)c1.[H][H].
What is the InChIKey of 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine?
The InChIKey is CWSXABKPABADTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C7H17N.H2/c1-3-5-9-6-4-7-10(8-9)11-2;1-4-5-6-8-7(2)3;/h4,6-8H,3,5H2,1-2H3;7-8H,4-6H2,1-3H3;1H.
What are the key properties of 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine?
1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-propylbenzene;molecular hydrogen;N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 168900875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).