N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C20H23N — CID 63454712

IUPACN-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESc1ccc(C2CC2NC2CCCCc3ccccc32)cc1
InChIInChI=1S/C20H23N/c1-2-8-16(9-3-1)18-14-20(18)21-19-13-7-5-11-15-10-4-6-12-17(15)19/h1-4,6,8-10,12,18-21H,5,7,11,13-14H2
InChIKeyXAVFUWMDSWFKMP-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.60
Rot. Bonds3

About N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63454712) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63454712
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESc1ccc(C2CC2NC2CCCCc3ccccc32)cc1
InChIInChI=1S/C20H23N/c1-2-8-16(9-3-1)18-14-20(18)21-19-13-7-5-11-15-10-4-6-12-17(15)19/h1-4,6,8-10,12,18-21H,5,7,11,13-14H2
InChIKeyXAVFUWMDSWFKMP-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63994491
N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115695313
N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43081234
(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
CID 124764153
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
2-(2,3-dihydro-1H-inden-1-ylamino)cyclohexan-1-ol
CID 15925776
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
CID 65054525
N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262269
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63454712) is N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is c1ccc(C2CC2NC2CCCCc3ccccc32)cc1.
What is the InChIKey of N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is XAVFUWMDSWFKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-2-8-16(9-3-1)18-14-20(18)21-19-13-7-5-11-15-10-4-6-12-17(15)19/h1-4,6,8-10,12,18-21H,5,7,11,13-14H2.
What are the key properties of N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 277.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63454712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).