N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine

C18H29NO — CID 65303656

IUPACN-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine
SMILESCCOc1ccc(C)cc1CCC(C)CCNC1CC1
InChIInChI=1S/C18H29NO/c1-4-20-18-10-6-15(3)13-16(18)7-5-14(2)11-12-19-17-8-9-17/h6,10,13-14,17,19H,4-5,7-9,11-12H2,1-3H3
InChIKeyMVUCVFZVJVYHQK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.10
Rot. Bonds9

About N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine

N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine (PubChem CID 65303656) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine
PubChem CID65303656
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine
SMILESCCOc1ccc(C)cc1CCC(C)CCNC1CC1
InChIInChI=1S/C18H29NO/c1-4-20-18-10-6-15(3)13-16(18)7-5-14(2)11-12-19-17-8-9-17/h6,10,13-14,17,19H,4-5,7-9,11-12H2,1-3H3
InChIKeyMVUCVFZVJVYHQK-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
CID 65305770
N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 104662912
5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 65303943
N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 81470336
6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65306554
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306555
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653
6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
CID 65306553
5-(2,5-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 65304462

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine?
The IUPAC name of N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine (CID 65303656) is N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine is CCOc1ccc(C)cc1CCC(C)CCNC1CC1.
What is the InChIKey of N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine?
The InChIKey is MVUCVFZVJVYHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-20-18-10-6-15(3)13-16(18)7-5-14(2)11-12-19-17-8-9-17/h6,10,13-14,17,19H,4-5,7-9,11-12H2,1-3H3.
What are the key properties of N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine?
N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine is sourced from PubChem (CID 65303656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).