N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine

C22H26N2 — CID 156705872

IUPACN-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESc1ccc(N(c2ccc3c(c2)CN(CC2CC2)CC3)C2CC2)cc1
InChIInChI=1S/C22H26N2/c1-2-4-20(5-3-1)24(21-10-11-21)22-9-8-18-12-13-23(15-17-6-7-17)16-19(18)14-22/h1-5,8-9,14,17,21H,6-7,10-13,15-16H2
InChIKeyJWQVDJYVTVXEHB-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.76
Rot. Bonds5

About N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine

N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 156705872) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID156705872
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESc1ccc(N(c2ccc3c(c2)CN(CC2CC2)CC3)C2CC2)cc1
InChIInChI=1S/C22H26N2/c1-2-4-20(5-3-1)24(21-10-11-21)22-9-8-18-12-13-23(15-17-6-7-17)16-19(18)14-22/h1-5,8-9,14,17,21H,6-7,10-13,15-16H2
InChIKeyJWQVDJYVTVXEHB-UHFFFAOYSA-N
XLogP4.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705986
2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705965
2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705903
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one
CID 175834705
6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline
CID 84738511
3-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-methylpyridin-2-one
CID 175834717
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
CID 175252645
5-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-(1,1,3,3-tetradeuteriopropan-2-yl)amino]-1-methylpyridin-2-one
CID 168873678
1-[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,2,4-triazole-3,5-diamine
CID 66694890
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 156705872) is N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine is c1ccc(N(c2ccc3c(c2)CN(CC2CC2)CC3)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is JWQVDJYVTVXEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-2-4-20(5-3-1)24(21-10-11-21)22-9-8-18-12-13-23(15-17-6-7-17)16-19(18)14-22/h1-5,8-9,14,17,21H,6-7,10-13,15-16H2.
What are the key properties of N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine?
N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 318.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 156705872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).