(3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine

C16H23NO — CID 97176373

IUPAC(3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
SMILESCc1ccc(C[C@H]2COCC[C@H]2NC2CC2)cc1
InChIInChI=1S/C16H23NO/c1-12-2-4-13(5-3-12)10-14-11-18-9-8-16(14)17-15-6-7-15/h2-5,14-17H,6-11H2,1H3/t14-,16+/m0/s1
InChIKeyQDOIBQBIIVFYMA-GOEBONIOSA-N
MW245.37 g/mol
LogP2.69
Rot. Bonds4

About (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine

(3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine (PubChem CID 97176373) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name(3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
PubChem CID97176373
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
SMILESCc1ccc(C[C@H]2COCC[C@H]2NC2CC2)cc1
InChIInChI=1S/C16H23NO/c1-12-2-4-13(5-3-12)10-14-11-18-9-8-16(14)17-15-6-7-15/h2-5,14-17H,6-11H2,1H3/t14-,16+/m0/s1
InChIKeyQDOIBQBIIVFYMA-GOEBONIOSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
CID 71634426
(3R,4S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]oxan-4-amine
CID 97168671
N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine
CID 71648283
4-bromo-3-[(4-methylphenyl)methyl]oxane
CID 106471574
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881
(3S,4S)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167860
(3R,4R)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167857
3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine
CID 71646485
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
3-[(4-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 71648106
(3S,4S)-N-cyclopropyl-3-[(2,5-dichlorophenyl)methyl]oxan-4-amine
CID 97166611
(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide
CID 97177651

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine?
The IUPAC name of (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine (CID 97176373) is (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine.
What is the SMILES notation for (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine?
The canonical SMILES for (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine is Cc1ccc(C[C@H]2COCC[C@H]2NC2CC2)cc1.
What is the InChIKey of (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine?
The InChIKey is QDOIBQBIIVFYMA-GOEBONIOSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-2-4-13(5-3-12)10-14-11-18-9-8-16(14)17-15-6-7-15/h2-5,14-17H,6-11H2,1H3/t14-,16+/m0/s1.
What are the key properties of (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine?
(3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine has a molecular weight of 245.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 97176373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).