N-propan-2-yl-3H-benzo[f]chromen-3-amine

C16H17NO — CID 15698543

IUPACN-propan-2-yl-3H-benzo[f]chromen-3-amine
SMILESCC(C)NC1C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C16H17NO/c1-11(2)17-16-10-8-14-13-6-4-3-5-12(13)7-9-15(14)18-16/h3-11,16-17H,1-2H3
InChIKeyBTFYEXOGEHFPCR-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.57
Rot. Bonds2

About N-propan-2-yl-3H-benzo[f]chromen-3-amine

N-propan-2-yl-3H-benzo[f]chromen-3-amine (PubChem CID 15698543) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-propan-2-yl-3H-benzo[f]chromen-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-3H-benzo[f]chromen-3-amine
PubChem CID15698543
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-propan-2-yl-3H-benzo[f]chromen-3-amine
SMILESCC(C)NC1C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C16H17NO/c1-11(2)17-16-10-8-14-13-6-4-3-5-12(13)7-9-15(14)18-16/h3-11,16-17H,1-2H3
InChIKeyBTFYEXOGEHFPCR-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-methyl-3-phenylbenzo[f]chromene
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CID 101485886
bis[(3R)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485885
9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
CID 22084982
ethane;9-methyl-9H-cyclohepta[a]naphthalene
CID 143739636
Naphthoxazine EthoxySilane
CID 137175570
(3R)-3-[2-[(3R)-3H-cyclopenta[a]naphthalen-3-yl]propan-2-yl]-3H-cyclopenta[a]naphthalene
CID 101485883
2-methyl-2H-phenanthren-1-one
CID 154182792
3-propan-2-ylbenzo[h][2,4,1]benzodioxathiine 1,1-dioxide
CID 176765733
14-propan-2-yl-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-decaene
CID 130249976
3-benzhydrylidenebenzo[f]chromene
CID 156788681

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3H-benzo[f]chromen-3-amine?
The IUPAC name of N-propan-2-yl-3H-benzo[f]chromen-3-amine (CID 15698543) is N-propan-2-yl-3H-benzo[f]chromen-3-amine.
What is the SMILES notation for N-propan-2-yl-3H-benzo[f]chromen-3-amine?
The canonical SMILES for N-propan-2-yl-3H-benzo[f]chromen-3-amine is CC(C)NC1C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of N-propan-2-yl-3H-benzo[f]chromen-3-amine?
The InChIKey is BTFYEXOGEHFPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11(2)17-16-10-8-14-13-6-4-3-5-12(13)7-9-15(14)18-16/h3-11,16-17H,1-2H3.
What are the key properties of N-propan-2-yl-3H-benzo[f]chromen-3-amine?
N-propan-2-yl-3H-benzo[f]chromen-3-amine has a molecular weight of 239.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3H-benzo[f]chromen-3-amine is sourced from PubChem (CID 15698543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).