(1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine

C21H21NO — CID 58035522

IUPAC(1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ccc2ccccc2c1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C21H21NO/c1-23-21-12-11-16-9-5-6-10-17(16)19(21)14-22-20-13-18(20)15-7-3-2-4-8-15/h2-12,18,20,22H,13-14H2,1H3/t18?,20-/m0/s1
InChIKeyXWROMCAMBDLODD-IJHRGXPZSA-N
MW303.41 g/mol
LogP4.49
Rot. Bonds5

About (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 58035522) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID58035522
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name(1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ccc2ccccc2c1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C21H21NO/c1-23-21-12-11-16-9-5-6-10-17(16)19(21)14-22-20-13-18(20)15-7-3-2-4-8-15/h2-12,18,20,22H,13-14H2,1H3/t18?,20-/m0/s1
InChIKeyXWROMCAMBDLODD-IJHRGXPZSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine (CID 58035522) is (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine is COc1ccc2ccccc2c1CN[C@H]1CC1c1ccccc1.
What is the InChIKey of (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is XWROMCAMBDLODD-IJHRGXPZSA-N. The full InChI is InChI=1S/C21H21NO/c1-23-21-12-11-16-9-5-6-10-17(16)19(21)14-22-20-13-18(20)15-7-3-2-4-8-15/h2-12,18,20,22H,13-14H2,1H3/t18?,20-/m0/s1.
What are the key properties of (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 58035522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).