3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine

C14H15NO — CID 43537547

IUPAC3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
SMILESCC1COc2c(ccc3ccccc23)C1N
InChIInChI=1S/C14H15NO/c1-9-8-16-14-11-5-3-2-4-10(11)6-7-12(14)13(9)15/h2-7,9,13H,8,15H2,1H3
InChIKeyUQNWGYHCBNYUKT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.87
Rot. Bonds

About 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine

3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine (PubChem CID 43537547) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
PubChem CID43537547
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
SMILESCC1COc2c(ccc3ccccc23)C1N
InChIInChI=1S/C14H15NO/c1-9-8-16-14-11-5-3-2-4-10(11)6-7-12(14)13(9)15/h2-7,9,13H,8,15H2,1H3
InChIKeyUQNWGYHCBNYUKT-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
CID 100944396
(11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one
CID 164680920
(11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
CID 54415078
13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102516604
2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-amine
CID 118876039
(5S)-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-ol
CID 79014244
12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaen-14-amine
CID 139362841
(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine
CID 135045429
(1R,13R)-12,24-dioxa-25-azoniahexacyclo[11.11.1.02,11.05,10.014,23.017,22]pentacosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
CID 11896403
N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
CID 43536929
4-methyl-2,3-dihydrobenzo[h][1,4]benzoxazine-3-carbonitrile
CID 84624570

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine?
The IUPAC name of 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine (CID 43537547) is 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine is CC1COc2c(ccc3ccccc23)C1N.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine?
The InChIKey is UQNWGYHCBNYUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-8-16-14-11-5-3-2-4-10(11)6-7-12(14)13(9)15/h2-7,9,13H,8,15H2,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine?
3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine is sourced from PubChem (CID 43537547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).