N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine

C26H32F2N2O2 — CID 142514182

IUPACN-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine
SMILESFc1cc(F)c(OCc2ccccc2)c([C@@H]2C[C@H]2NC2CCC(N3CCOCC3)CC2)c1
InChIInChI=1S/C26H32F2N2O2/c27-19-14-23(26(24(28)15-19)32-17-18-4-2-1-3-5-18)22-16-25(22)29-20-6-8-21(9-7-20)30-10-12-31-13-11-30/h1-5,14-15,20-22,25,29H,6-13,16-17H2/t20?,21?,22-,25+/m0/s1
InChIKeyJWRXXTDMQNYOCZ-BBLPBDBVSA-N
MW442.55 g/mol
LogP4.63
Rot. Bonds7

About N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine

N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine (PubChem CID 142514182) has the molecular formula C26H32F2N2O2 and a molecular weight of 442.55 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine
PubChem CID142514182
Molecular FormulaC26H32F2N2O2
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC NameN-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine
SMILESFc1cc(F)c(OCc2ccccc2)c([C@@H]2C[C@H]2NC2CCC(N3CCOCC3)CC2)c1
InChIInChI=1S/C26H32F2N2O2/c27-19-14-23(26(24(28)15-19)32-17-18-4-2-1-3-5-18)22-16-25(22)29-20-6-8-21(9-7-20)30-10-12-31-13-11-30/h1-5,14-15,20-22,25,29H,6-13,16-17H2/t20?,21?,22-,25+/m0/s1
InChIKeyJWRXXTDMQNYOCZ-BBLPBDBVSA-N
XLogP4.63
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine?
The IUPAC name of N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine (CID 142514182) is N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine?
The canonical SMILES for N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine is Fc1cc(F)c(OCc2ccccc2)c([C@@H]2C[C@H]2NC2CCC(N3CCOCC3)CC2)c1.
What is the InChIKey of N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine?
The InChIKey is JWRXXTDMQNYOCZ-BBLPBDBVSA-N. The full InChI is InChI=1S/C26H32F2N2O2/c27-19-14-23(26(24(28)15-19)32-17-18-4-2-1-3-5-18)22-16-25(22)29-20-6-8-21(9-7-20)30-10-12-31-13-11-30/h1-5,14-15,20-22,25,29H,6-13,16-17H2/t20?,21?,22-,25+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine?
N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine has a molecular weight of 442.55 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine is sourced from PubChem (CID 142514182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).