N-(cyclopropylmethyl)-2-propoxyaniline

C13H19NO — CID 43682348

IUPACN-(cyclopropylmethyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCC1CC1
InChIInChI=1S/C13H19NO/c1-2-9-15-13-6-4-3-5-12(13)14-10-11-7-8-11/h3-6,11,14H,2,7-10H2,1H3
InChIKeyLACWLPKMNKWVBF-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.30
Rot. Bonds6

About N-(cyclopropylmethyl)-2-propoxyaniline

N-(cyclopropylmethyl)-2-propoxyaniline (PubChem CID 43682348) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-propoxyaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-propoxyaniline
PubChem CID43682348
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(cyclopropylmethyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCC1CC1
InChIInChI=1S/C13H19NO/c1-2-9-15-13-6-4-3-5-12(13)14-10-11-7-8-11/h3-6,11,14H,2,7-10H2,1H3
InChIKeyLACWLPKMNKWVBF-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
CID 55100134
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
CID 83961753
N-cyclohexyl-2-propoxyaniline
CID 43682292
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855465
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
N-(2-methylbutyl)-2-propoxyaniline
CID 43682211
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-propoxyaniline?
The IUPAC name of N-(cyclopropylmethyl)-2-propoxyaniline (CID 43682348) is N-(cyclopropylmethyl)-2-propoxyaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2-propoxyaniline?
The canonical SMILES for N-(cyclopropylmethyl)-2-propoxyaniline is CCCOc1ccccc1NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-propoxyaniline?
The InChIKey is LACWLPKMNKWVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-9-15-13-6-4-3-5-12(13)14-10-11-7-8-11/h3-6,11,14H,2,7-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-propoxyaniline?
N-(cyclopropylmethyl)-2-propoxyaniline has a molecular weight of 205.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-propoxyaniline is sourced from PubChem (CID 43682348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).