4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine

C16H25NO — CID 114210547

IUPAC4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine
SMILESCC(C)(C)CCCC1(N)CCOc2ccccc21
InChIInChI=1S/C16H25NO/c1-15(2,3)9-6-10-16(17)11-12-18-14-8-5-4-7-13(14)16/h4-5,7-8H,6,9-12,17H2,1-3H3
InChIKeyUENZUKXNFWBCFR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds3

About 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine

4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine (PubChem CID 114210547) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine
PubChem CID114210547
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine
SMILESCC(C)(C)CCCC1(N)CCOc2ccccc21
InChIInChI=1S/C16H25NO/c1-15(2,3)9-6-10-16(17)11-12-18-14-8-5-4-7-13(14)16/h4-5,7-8H,6,9-12,17H2,1-3H3
InChIKeyUENZUKXNFWBCFR-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-dimethylbutyl)-2,3-dihydrochromene-4-carbonitrile
CID 65407443
4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419418
4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65406283
4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419629
4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65403944
4-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65421588
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
4-propan-2-yl-2,3-dihydrochromen-4-amine
CID 126977471
(4-butyl-2,3-dihydrochromen-4-yl)methanamine
CID 65407498
4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65422015
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65403950

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine (CID 114210547) is 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine is CC(C)(C)CCCC1(N)CCOc2ccccc21.
What is the InChIKey of 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine?
The InChIKey is UENZUKXNFWBCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)9-6-10-16(17)11-12-18-14-8-5-4-7-13(14)16/h4-5,7-8H,6,9-12,17H2,1-3H3.
What are the key properties of 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine?
4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine has a molecular weight of 247.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 114210547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).