2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine

C17H27NO — CID 106930678

IUPAC2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
SMILESCCNCC(COCC1CC1)Cc1ccccc1C
InChIInChI=1S/C17H27NO/c1-3-18-11-16(13-19-12-15-8-9-15)10-17-7-5-4-6-14(17)2/h4-7,15-16,18H,3,8-13H2,1-2H3
InChIKeyREVWTIFAHDAGHP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.19
Rot. Bonds9

About 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine

2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 106930678) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
PubChem CID106930678
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
SMILESCCNCC(COCC1CC1)Cc1ccccc1C
InChIInChI=1S/C17H27NO/c1-3-18-11-16(13-19-12-15-8-9-15)10-17-7-5-4-6-14(17)2/h4-7,15-16,18H,3,8-13H2,1-2H3
InChIKeyREVWTIFAHDAGHP-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 106930572
1-[2-(chloromethyl)-3-(cyclopropylmethoxy)propyl]-2-methylbenzene
CID 106931346
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382
2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine
CID 106930589
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 106930624
3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 106930862
2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 106930574
N-ethyl-2-[(2-methylphenyl)methyl]-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617665

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine (CID 106930678) is 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine is CCNCC(COCC1CC1)Cc1ccccc1C.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is REVWTIFAHDAGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-18-11-16(13-19-12-15-8-9-15)10-17-7-5-4-6-14(17)2/h4-7,15-16,18H,3,8-13H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 106930678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).