2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine

C14H21NO2 — CID 117343498

IUPAC2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(C(C)(C)N)cc1OCC1CC1
InChIInChI=1S/C14H21NO2/c1-14(2,15)11-6-7-12(16-3)13(8-11)17-9-10-4-5-10/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyCCEIPTJZBZPHRC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds5

About 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine

2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine (PubChem CID 117343498) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
PubChem CID117343498
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(C(C)(C)N)cc1OCC1CC1
InChIInChI=1S/C14H21NO2/c1-14(2,15)11-6-7-12(16-3)13(8-11)17-9-10-4-5-10/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyCCEIPTJZBZPHRC-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 117427905
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine
CID 117415768
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol
CID 19358537
2-[4-methoxy-3-(thian-3-yloxy)phenyl]propan-2-amine
CID 117451953
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
cyclopropylmethyl 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopropane-1-carboxylate
CID 147114747

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine?
The IUPAC name of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine (CID 117343498) is 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine is COc1ccc(C(C)(C)N)cc1OCC1CC1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine?
The InChIKey is CCEIPTJZBZPHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,15)11-6-7-12(16-3)13(8-11)17-9-10-4-5-10/h6-8,10H,4-5,9,15H2,1-3H3.
What are the key properties of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine?
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 117343498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).