2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine

C15H23NO — CID 117339337

IUPAC2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine
SMILESCOc1cc2c(cc1C(C)CN)CCCCC2
InChIInChI=1S/C15H23NO/c1-11(10-16)14-8-12-6-4-3-5-7-13(12)9-15(14)17-2/h8-9,11H,3-7,10,16H2,1-2H3
InChIKeyDQEHUIAQVZJYMF-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.03
Rot. Bonds3

About 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine

2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine (PubChem CID 117339337) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine
PubChem CID117339337
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine
SMILESCOc1cc2c(cc1C(C)CN)CCCCC2
InChIInChI=1S/C15H23NO/c1-11(10-16)14-8-12-6-4-3-5-7-13(12)9-15(14)17-2/h8-9,11H,3-7,10,16H2,1-2H3
InChIKeyDQEHUIAQVZJYMF-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline
CID 117349624
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
3-(1-aminopropan-2-yl)-4-methoxyaniline
CID 84657534
2-[2-methoxy-4-(methoxymethyl)phenyl]propan-1-amine
CID 83884511
3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
CID 170999674
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
3-amino-1-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-one
CID 117371031
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 82158690

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine?
The IUPAC name of 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine (CID 117339337) is 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine.
What is the SMILES notation for 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine?
The canonical SMILES for 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine is COc1cc2c(cc1C(C)CN)CCCCC2.
What is the InChIKey of 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine?
The InChIKey is DQEHUIAQVZJYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(10-16)14-8-12-6-4-3-5-7-13(12)9-15(14)17-2/h8-9,11H,3-7,10,16H2,1-2H3.
What are the key properties of 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine?
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine is sourced from PubChem (CID 117339337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).