4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine

C18H31NO — CID 83940931

IUPAC4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
SMILESCCCOc1cc(C)c(C(CCC)CCCN)cc1C
InChIInChI=1S/C18H31NO/c1-5-8-16(9-7-10-19)17-12-15(4)18(13-14(17)3)20-11-6-2/h12-13,16H,5-11,19H2,1-4H3
InChIKeyAORJMZWFNUZTAI-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.71
Rot. Bonds9

About 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine

4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine (PubChem CID 83940931) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
PubChem CID83940931
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
SMILESCCCOc1cc(C)c(C(CCC)CCCN)cc1C
InChIInChI=1S/C18H31NO/c1-5-8-16(9-7-10-19)17-12-15(4)18(13-14(17)3)20-11-6-2/h12-13,16H,5-11,19H2,1-4H3
InChIKeyAORJMZWFNUZTAI-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dichloro-2-propoxyphenyl)heptan-1-amine
CID 83941299
6-(2,5-dimethyl-4-propoxyphenyl)octan-3-one
CID 83940950
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032
4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)heptan-1-amine
CID 83940695
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine
CID 66517345
4-(2-methyl-4-phenoxyphenyl)heptan-1-amine
CID 83937212
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
4-(5-ethyl-2-methoxyphenyl)heptan-1-amine
CID 83942664
4-(2-ethyl-4-methoxyphenyl)heptan-1-amine
CID 83941516

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine?
The IUPAC name of 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine (CID 83940931) is 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine.
What is the SMILES notation for 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine?
The canonical SMILES for 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine is CCCOc1cc(C)c(C(CCC)CCCN)cc1C.
What is the InChIKey of 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine?
The InChIKey is AORJMZWFNUZTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-8-16(9-7-10-19)17-12-15(4)18(13-14(17)3)20-11-6-2/h12-13,16H,5-11,19H2,1-4H3.
What are the key properties of 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine?
4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine is sourced from PubChem (CID 83940931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).