N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine

C44H46N2 — CID 158787446

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccccc2)C1)c1cccc2ccccc12.C[C@@H](NC1CC(c2ccccc2)C1)c1cccc2ccccc12
InChIInChI=1S/2C22H23N/c2*1-16(21-13-7-11-18-10-5-6-12-22(18)21)23-20-14-19(15-20)17-8-3-2-4-9-17/h2*2-13,16,19-20,23H,14-15H2,1H3/t2*16-,19?,20?/m11/s1
InChIKeyIRWAEUIEELAHSU-ZKEPLSHPSA-N
MW602.87 g/mol
LogP10.87
Rot. Bonds8

About N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine

N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine (PubChem CID 158787446) has the molecular formula C44H46N2 and a molecular weight of 602.87 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
PubChem CID158787446
Molecular FormulaC44H46N2
Molecular Weight602.87 g/mol
Exact Mass602.37
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccccc2)C1)c1cccc2ccccc12.C[C@@H](NC1CC(c2ccccc2)C1)c1cccc2ccccc12
InChIInChI=1S/2C22H23N/c2*1-16(21-13-7-11-18-10-5-6-12-22(18)21)23-20-14-19(15-20)17-8-3-2-4-9-17/h2*2-13,16,19-20,23H,14-15H2,1H3/t2*16-,19?,20?/m11/s1
InChIKeyIRWAEUIEELAHSU-ZKEPLSHPSA-N
XLogP10.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.87
LogP ≤ 510.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine with MolForge

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Related Compounds

N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
CID 42624182
2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 70916307
2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 67296554
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
CID 42624270

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine (CID 158787446) is N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine is C[C@@H](NC1CC(c2ccccc2)C1)c1cccc2ccccc12.C[C@@H](NC1CC(c2ccccc2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine?
The InChIKey is IRWAEUIEELAHSU-ZKEPLSHPSA-N. The full InChI is InChI=1S/2C22H23N/c2*1-16(21-13-7-11-18-10-5-6-12-22(18)21)23-20-14-19(15-20)17-8-3-2-4-9-17/h2*2-13,16,19-20,23H,14-15H2,1H3/t2*16-,19?,20?/m11/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine has a molecular weight of 602.87 g/mol, XLogP of 10.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 158787446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).