[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine

C14H20N2 — CID 99109813

IUPAC[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@@H]1CN1CCc2ccccc2C1
InChIInChI=1S/C14H20N2/c15-8-13-7-14(13)10-16-6-5-11-3-1-2-4-12(11)9-16/h1-4,13-14H,5-10,15H2/t13-,14+/m0/s1
InChIKeyBNOXARHBBQKXRU-UONOGXRCSA-N
MW216.33 g/mol
LogP1.64
Rot. Bonds3

About [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine

[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine (PubChem CID 99109813) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine
PubChem CID99109813
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@@H]1CN1CCc2ccccc2C1
InChIInChI=1S/C14H20N2/c15-8-13-7-14(13)10-16-6-5-11-3-1-2-4-12(11)9-16/h1-4,13-14H,5-10,15H2/t13-,14+/m0/s1
InChIKeyBNOXARHBBQKXRU-UONOGXRCSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine
CID 99109815
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine
CID 62423352
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
CID 62608826
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79853349
2-[[(2S)-oxiran-2-yl]methyl]-3,4-dihydro-1H-isoquinoline;sulfane
CID 161167109
2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 106740844
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methylcyclohexan-1-one
CID 55094446
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
CID 142598065
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine
CID 62263973
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 70274207

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine (CID 99109813) is [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine is NC[C@@H]1C[C@@H]1CN1CCc2ccccc2C1.
What is the InChIKey of [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine?
The InChIKey is BNOXARHBBQKXRU-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20N2/c15-8-13-7-14(13)10-16-6-5-11-3-1-2-4-12(11)9-16/h1-4,13-14H,5-10,15H2/t13-,14+/m0/s1.
What are the key properties of [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine?
[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine has a molecular weight of 216.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine is sourced from PubChem (CID 99109813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).