3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine

C18H21NO — CID 65419425

IUPAC3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine
SMILESCc1ccc(C)c(CC2(N)COc3ccccc3C2)c1
InChIInChI=1S/C18H21NO/c1-13-7-8-14(2)16(9-13)11-18(19)10-15-5-3-4-6-17(15)20-12-18/h3-9H,10-12,19H2,1-2H3
InChIKeyMZCQHRVWXRFAOO-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.18
Rot. Bonds2

About 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine

3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine (PubChem CID 65419425) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine
PubChem CID65419425
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine
SMILESCc1ccc(C)c(CC2(N)COc3ccccc3C2)c1
InChIInChI=1S/C18H21NO/c1-13-7-8-14(2)16(9-13)11-18(19)10-15-5-3-4-6-17(15)20-12-18/h3-9H,10-12,19H2,1-2H3
InChIKeyMZCQHRVWXRFAOO-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-8-phenyl-N,N-dipropylchroman-3-amine
CID 11267988
6,6a,7,8,9,10-Hexahydrobenzo[c]chromen-10a-amine
CID 19107088
((3R,4R)-4-(o-tolyloxy)-3,4-dihydro-1H-isochromen-3-yl)methanamine
CID 44587446
((3S,4S)-4-(o-tolyloxy)isochroman-3-yl)methanamine
CID 44593691
(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine
CID 146709966
(3S,4S)-4-ethyl-3-methyl-6-phenyl-2,4-dihydrochromen-3-amine
CID 148302367
(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine
CID 153061504
(3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine
CID 153287572
(3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine
CID 155526977
6-methyl-3,4-dihydro-2H-1-benzopyran-3-amine hydrochloride
CID 3041594
(8-Phenyl-chroman-3-yl)-dipropyl-amine
CID 9972630
[(R)-8-(4-Methoxy-phenyl)-chroman-3-yl]-dipropyl-amine
CID 11151958

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine (CID 65419425) is 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine is Cc1ccc(C)c(CC2(N)COc3ccccc3C2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine?
The InChIKey is MZCQHRVWXRFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-8-14(2)16(9-13)11-18(19)10-15-5-3-4-6-17(15)20-12-18/h3-9H,10-12,19H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine?
3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine has a molecular weight of 267.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine is sourced from PubChem (CID 65419425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).