(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine

C22H34NP — CID 163198375

IUPAC(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine
SMILESc1ccc([P@@]2CCC[C@H]2N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C22H34NP/c1-4-11-19(12-5-1)23(20-13-6-2-7-14-20)22-17-10-18-24(22)21-15-8-3-9-16-21/h3,8-9,15-16,19-20,22H,1-2,4-7,10-14,17-18H2/t22-,24+/m0/s1
InChIKeySETKOIBVPCXJGB-LADGPHEKSA-N
MW343.49 g/mol
LogP5.88
Rot. Bonds4

About (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine

(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine (PubChem CID 163198375) has the molecular formula C22H34NP and a molecular weight of 343.49 g/mol. Its IUPAC name is (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine.

Molecular Properties

Compound Name(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine
PubChem CID163198375
Molecular FormulaC22H34NP
Molecular Weight343.49 g/mol
Exact Mass343.24
IUPAC Name(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine
SMILESc1ccc([P@@]2CCC[C@H]2N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C22H34NP/c1-4-11-19(12-5-1)23(20-13-6-2-7-14-20)22-17-10-18-24(22)21-15-8-3-9-16-21/h3,8-9,15-16,19-20,22H,1-2,4-7,10-14,17-18H2/t22-,24+/m0/s1
InChIKeySETKOIBVPCXJGB-LADGPHEKSA-N
XLogP5.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloropropan-2-yl)-1-phenylphospholane
CID 91482141
trimethyl-(1-phenylphospholan-2-yl)stannane
CID 177488803
trimethyl-[(2R)-1-phenylphospholan-2-yl]stannane
CID 177447932
2-(1-phenylphospholan-2-yl)ethanol
CID 87485021
2-diphenylphosphoryl-1-phenylphospholane
CID 101412404
N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline
CID 130246640
1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one
CID 13103983
(1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine
CID 155898598
N,N-dicyclohexylcyclohexanamine
CID 175770337
N-cyclohexyl-N-fluoroaniline
CID 139617902
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
N,N-dibenzhydrylcyclohexanamine
CID 139723956

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine?
The IUPAC name of (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine (CID 163198375) is (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine.
What is the SMILES notation for (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine?
The canonical SMILES for (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine is c1ccc([P@@]2CCC[C@H]2N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine?
The InChIKey is SETKOIBVPCXJGB-LADGPHEKSA-N. The full InChI is InChI=1S/C22H34NP/c1-4-11-19(12-5-1)23(20-13-6-2-7-14-20)22-17-10-18-24(22)21-15-8-3-9-16-21/h3,8-9,15-16,19-20,22H,1-2,4-7,10-14,17-18H2/t22-,24+/m0/s1.
What are the key properties of (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine?
(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine has a molecular weight of 343.49 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine is sourced from PubChem (CID 163198375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).