N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline

C14H21NO — CID 83961753

IUPACN-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
SMILESCCCOc1ccc(C)cc1NCC1CC1
InChIInChI=1S/C14H21NO/c1-3-8-16-14-7-4-11(2)9-13(14)15-10-12-5-6-12/h4,7,9,12,15H,3,5-6,8,10H2,1-2H3
InChIKeyBEJWDTOQAVEQFQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.61
Rot. Bonds6

About N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline

N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline (PubChem CID 83961753) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
PubChem CID83961753
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
SMILESCCCOc1ccc(C)cc1NCC1CC1
InChIInChI=1S/C14H21NO/c1-3-8-16-14-7-4-11(2)9-13(14)15-10-12-5-6-12/h4,7,9,12,15H,3,5-6,8,10H2,1-2H3
InChIKeyBEJWDTOQAVEQFQ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 83961752
N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline
CID 83961757
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N,5-dimethyl-2-propoxyaniline
CID 82263415
2-(5-methyl-2-propoxyanilino)ethanethiol
CID 83961741
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
N'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
CID 64501327
N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
CID 55100134
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline?
The IUPAC name of N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline (CID 83961753) is N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline?
The canonical SMILES for N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline is CCCOc1ccc(C)cc1NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline?
The InChIKey is BEJWDTOQAVEQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-8-16-14-7-4-11(2)9-13(14)15-10-12-5-6-12/h4,7,9,12,15H,3,5-6,8,10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline?
N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline has a molecular weight of 219.33 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline is sourced from PubChem (CID 83961753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).