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

C15H23NO — CID 106930572

IUPAC2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)COCC1CC1
InChIInChI=1S/C15H23NO/c1-12-4-2-3-5-15(12)8-14(9-16)11-17-10-13-6-7-13/h2-5,13-14H,6-11,16H2,1H3
InChIKeyBSYQWLMACGKART-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.54
Rot. Bonds7

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

2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 106930572) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine
PubChem CID106930572
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)COCC1CC1
InChIInChI=1S/C15H23NO/c1-12-4-2-3-5-15(12)8-14(9-16)11-17-10-13-6-7-13/h2-5,13-14H,6-11,16H2,1H3
InChIKeyBSYQWLMACGKART-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(chloromethyl)-3-(cyclopropylmethoxy)propyl]-2-methylbenzene
CID 106931346
2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 106930574
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984194
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
4-(aminomethyl)-5-(2-methylphenyl)pentanoic acid
CID 112517831
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
CID 106930930
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine
CID 79219891

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine (CID 106930572) is 2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CC(CN)COCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is BSYQWLMACGKART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-4-2-3-5-15(12)8-14(9-16)11-17-10-13-6-7-13/h2-5,13-14H,6-11,16H2,1H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine?
2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 106930572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).