N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine

C16H23NO — CID 79978645

IUPACN-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
SMILESc1cc(C2CC2)ccc1CNCC1CCCOC1
InChIInChI=1S/C16H23NO/c1-2-14(12-18-9-1)11-17-10-13-3-5-15(6-4-13)16-7-8-16/h3-6,14,16-17H,1-2,7-12H2
InChIKeyUHKRMHQZWLBRAP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.08
Rot. Bonds5

About N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine

N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 79978645) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID79978645
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
SMILESc1cc(C2CC2)ccc1CNCC1CCCOC1
InChIInChI=1S/C16H23NO/c1-2-14(12-18-9-1)11-17-10-13-3-5-15(6-4-13)16-7-8-16/h3-6,14,16-17H,1-2,7-12H2
InChIKeyUHKRMHQZWLBRAP-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
N,N-diethyl-4-[(oxan-3-ylmethylamino)methyl]aniline
CID 61019907
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine
CID 54906782
N-[(3-bromo-4-chlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 83235438
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
1-(oxan-3-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 55147927
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol
CID 64590655

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine (CID 79978645) is N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine is c1cc(C2CC2)ccc1CNCC1CCCOC1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is UHKRMHQZWLBRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-14(12-18-9-1)11-17-10-13-3-5-15(6-4-13)16-7-8-16/h3-6,14,16-17H,1-2,7-12H2.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine?
N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 79978645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).