1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine

C15H21NO — CID 84794783

IUPAC1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine
SMILESCc1ccc(C2(N)CC2)c(OCC2CC2)c1C
InChIInChI=1S/C15H21NO/c1-10-3-6-13(15(16)7-8-15)14(11(10)2)17-9-12-4-5-12/h3,6,12H,4-5,7-9,16H2,1-2H3
InChIKeyALEMPOHTEOWDFO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds4

About 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine

1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine (PubChem CID 84794783) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine
PubChem CID84794783
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine
SMILESCc1ccc(C2(N)CC2)c(OCC2CC2)c1C
InChIInChI=1S/C15H21NO/c1-10-3-6-13(15(16)7-8-15)14(11(10)2)17-9-12-4-5-12/h3,6,12H,4-5,7-9,16H2,1-2H3
InChIKeyALEMPOHTEOWDFO-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)
CID 41727
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CID 62801708
[4-[[2,6-Di(propan-2-yl)phenoxy]methyl]-2,6-dimethylphenyl]methanamine
CID 177648925
1-(2-Methoxyphenyl)cyclopropan-1-amine
CID 12982595
(4-Methyl-2-(3-methylbutoxy)phenyl)methanamine
CID 62309023
2-(3-Ethoxyphenyl)propan-2-amine
CID 79004996
(4R)-7,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 131884186
(4S)-5,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 137832525
(4S)-7,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 137832526
(R)-5,8-dimethylchroman-4-amine hydrochloride
CID 137832528
1-(2-Methoxy-4,6-dimethylphenyl)ethan-1-amine hydrochloride
CID 137942044
2-[2-Ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine
CID 54058444

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine (CID 84794783) is 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine is Cc1ccc(C2(N)CC2)c(OCC2CC2)c1C.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine?
The InChIKey is ALEMPOHTEOWDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-3-6-13(15(16)7-8-15)14(11(10)2)17-9-12-4-5-12/h3,6,12H,4-5,7-9,16H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine?
1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine is sourced from PubChem (CID 84794783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).