(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine

C16H25NO — CID 118928761

IUPAC(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine
SMILESCC(C)[C@H](c1ccc(OCC2CC2)cc1)N(C)C
InChIInChI=1S/C16H25NO/c1-12(2)16(17(3)4)14-7-9-15(10-8-14)18-11-13-5-6-13/h7-10,12-13,16H,5-6,11H2,1-4H3/t16-/m1/s1
InChIKeyFJAOCUYALNJSDC-MRXNPFEDSA-N
MW247.38 g/mol
LogP3.73
Rot. Bonds6

About (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine

(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine (PubChem CID 118928761) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine
PubChem CID118928761
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine
SMILESCC(C)[C@H](c1ccc(OCC2CC2)cc1)N(C)C
InChIInChI=1S/C16H25NO/c1-12(2)16(17(3)4)14-7-9-15(10-8-14)18-11-13-5-6-13/h7-10,12-13,16H,5-6,11H2,1-4H3/t16-/m1/s1
InChIKeyFJAOCUYALNJSDC-MRXNPFEDSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
cyclopropylmethoxybenzene
CID 12712156
N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 119582823
(1R)-N,N,2-trimethyl-1-(4-pyridin-2-yloxyphenyl)propan-1-amine
CID 118928757
1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
CID 22416597
1-(cyclohexylmethoxy)-4-(2-methylpropyl)benzene
CID 66792626
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine?
The IUPAC name of (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine (CID 118928761) is (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine is CC(C)[C@H](c1ccc(OCC2CC2)cc1)N(C)C.
What is the InChIKey of (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine?
The InChIKey is FJAOCUYALNJSDC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)16(17(3)4)14-7-9-15(10-8-14)18-11-13-5-6-13/h7-10,12-13,16H,5-6,11H2,1-4H3/t16-/m1/s1.
What are the key properties of (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine?
(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 118928761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).