1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine

C14H19NO — CID 63708653

IUPAC1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
SMILESc1ccc2c(c1)OCCC2CNCC1CC1
InChIInChI=1S/C14H19NO/c1-2-4-14-13(3-1)12(7-8-16-14)10-15-9-11-5-6-11/h1-4,11-12,15H,5-10H2
InChIKeyUKJKCXKAWQDMAN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.55
Rot. Bonds4

About 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine

1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine (PubChem CID 63708653) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
PubChem CID63708653
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
SMILESc1ccc2c(c1)OCCC2CNCC1CC1
InChIInChI=1S/C14H19NO/c1-2-4-14-13(3-1)12(7-8-16-14)10-15-9-11-5-6-11/h1-4,11-12,15H,5-10H2
InChIKeyUKJKCXKAWQDMAN-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propane-1,2-diol
CID 113451136
[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
CID 107230849
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
N-[2-(3,4-dihydro-2H-chromen-4-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115756467
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine (CID 63708653) is 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine is c1ccc2c(c1)OCCC2CNCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine?
The InChIKey is UKJKCXKAWQDMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-4-14-13(3-1)12(7-8-16-14)10-15-9-11-5-6-11/h1-4,11-12,15H,5-10H2.
What are the key properties of 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine?
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine has a molecular weight of 217.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine is sourced from PubChem (CID 63708653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).