N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine

C18H29NO — CID 104759566

IUPACN-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-18(2,20-3)14-19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11,16-17,19H,5,8-9,12-14H2,1-3H3
InChIKeyLHUMMIGUUDNKJJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.32
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine

N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 104759566) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID104759566
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-18(2,20-3)14-19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11,16-17,19H,5,8-9,12-14H2,1-3H3
InChIKeyLHUMMIGUUDNKJJ-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
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N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
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N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
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ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
1-cyclohexyl-N-(2-methoxyethoxy)-1-phenylmethanamine
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N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
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N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
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2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol
CID 107864962

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine (CID 104759566) is N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is LHUMMIGUUDNKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,20-3)14-19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11,16-17,19H,5,8-9,12-14H2,1-3H3.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 104759566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).